TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 468.524 | Formula: C22H17FN4O3S2
H donors: 2 H acceptors: 5 LogP: 4.25 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1cnccc1C(=O)Nc1scc(n1)c1ccccc1F
InChi: 1S/C22H17FN4O3S2/c1-14-6-8-15(9-7-14)32(29,30)27-19-12-24-11-10-17(19)21(28)26-22-25-20(13-31-22)16-4-2-3-5-18(16)23/h2-13,27H,1H3,(H,25,26,28)
InChiKey: OOOUHZHQDFCCON-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania infantum	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei gambiense	ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania mexicana	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium parvum	ubiquitin C-terminal hydrolase of the cysteine proteinase fold	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Candida albicans	ubiquitin-specific protease	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium hominis	ubiquitin specific protease 66	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma congolense	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR015063,Domain of unknown function DUF1873,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania braziliensis	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania donovani	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ubiquitin specific protease, putative	ubiquitin specific peptidase 2	362 aa	378 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Plasmodium vivax	vivapain-2	0.0026	0.0591	0.0591
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0142	0.6053	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0026	0.0591	0.0591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0188	0.0311
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.1469	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0591	0.4021
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.0591	0.4021
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.0591	1
Onchocerca volvulus		0.0026	0.0591	1
Onchocerca volvulus		0.0026	0.0591	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1469	1
Entamoeba histolytica	cysteine protease, putative	0.0026	0.0591	0.4021
Plasmodium vivax	vivapain-2	0.0026	0.0591	0.0591
Brugia malayi	Papain family cysteine protease containing protein	0.0026	0.0591	0.4021
Echinococcus granulosus	ubiquitin specific protease 41	0.0045	0.1469	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.0591	0.3144
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0026	0.0591	0.4021
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0591	0.0591
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.1469	0.1469
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0045	0.1469	1
Echinococcus granulosus	cathepsin l1	0.0026	0.0591	0.4021
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.1469	1
Echinococcus granulosus	cathepsin l1	0.0017	0.0188	0.128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0591	0.4021
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0226	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0026	0.0591	0.4021
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0026	0.0591	0.0591
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.1469	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Onchocerca volvulus	Cathepsin F homolog	0.0026	0.0591	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0188	0.0188
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0089	0.3544	0.3544
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0017	0.0188	0.128
Onchocerca volvulus		0.0026	0.0591	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0591	0.3144
Echinococcus multilocularis	cysteine protease	0.0026	0.0591	0.4021
Trypanosoma cruzi	cruzipain precursor, putative	0.0026	0.0591	0.4021
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0591	0.4021
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0226	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0089	0.3544	0.2433
Onchocerca volvulus		0.0026	0.0591	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0188	0.128
Giardia lamblia	Encystation-specific protease	0.0089	0.3544	0.2433
Brugia malayi	cathepsin L-like precursor	0.0017	0.0188	0.128
Loa Loa (eye worm)	fibroinase	0.0026	0.0591	0.3144
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.0591	0.4021
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0226	1	1
Toxoplasma gondii	cathepsin CPC1	0.0226	1	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0591	0.4021
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.1469	0.2427
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Onchocerca volvulus		0.0026	0.0591	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0226	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0026	0.0591	0.0591
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0188	0.0311
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0591	0.4021
Loa Loa (eye worm)	cysteine protease	0.0026	0.0591	0.3144
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0188	0.128
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0591	0.0976
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.1469	0.2427
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0591	0.0591
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.1469	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0017	0.0188	0.128
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.1469	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Onchocerca volvulus		0.0026	0.0591	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0089	0.3544	0.2433
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0045	0.1469	1
Onchocerca volvulus		0.0026	0.0591	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.1469	0.2427
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0591	0.4021
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0089	0.3544	0.3544
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.0591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0591	0.0976
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Loa Loa (eye worm)	ctsf protein	0.0026	0.0591	0.3144
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0026	0.0591	0.3144
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.1469	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0045	0.1469	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.0591	0.4021
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Echinococcus multilocularis	cysteine protease	0.0026	0.0591	0.4021
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Toxoplasma gondii	cathepsin CPC2	0.0089	0.3544	0.3139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0045	0.1469	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0591	0.0976
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0226	1	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0045	0.1469	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0591	0.4021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0591	0.0976
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0591	0.4021
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0591	0.4021
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.1469	0.1469
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0226	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0188	0.128

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.1671 uM	PubChem BioAssay. qHTS for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter: K484 Substrate. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL3392797

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1923458