TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.469 | Formula: C20H15NO2S2
H donors: 0 H acceptors: 3 LogP: 4.9 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CS(=O)(=O)c1ccc2c(c1)sc(n2)c1ccc(cc1)c1ccccc1
InChi: 1S/C20H15NO2S2/c1-25(22,23)17-11-12-18-19(13-17)24-20(21-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3
InChiKey: JAKUKOMJMJHFIJ-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0042	0.1173	0.2172
Plasmodium vivax	patched family protein, putative	0.0006	0	0.5
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0104	0.3173	0.6003
Schistosoma mansoni	cpg binding protein	0.0031	0.0823	0.1501
Brugia malayi	CXXC zinc finger family protein	0.003	0.0768	0.0768
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.4281	0.8123
Entamoeba histolytica	hypothetical protein	0.0108	0.3324	1
Schistosoma mansoni	hypothetical protein	0.0042	0.1173	0.2172
Echinococcus multilocularis	cpg binding protein	0.0031	0.0823	0.1501
Schistosoma mansoni	hypothetical protein	0.0042	0.1173	0.2172
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.4281	0.8123
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0205	0.648	0.648
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.1635	1
Echinococcus granulosus	cpg binding protein	0.0031	0.0823	0.1501
Echinococcus multilocularis	geminin	0.0168	0.526	1
Schistosoma mansoni	hypothetical protein	0.0065	0.1912	0.3588
Echinococcus granulosus	geminin	0.0168	0.526	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.4281	0.8123
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.1912	0.1912
Brugia malayi	CHE-14 protein	0.0044	0.1225	0.1225
Schistosoma mansoni	patched 1	0.0044	0.1225	0.227
Echinococcus multilocularis	Niemann Pick C1 protein	0.0146	0.4548	0.8636
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.1225	0.1225
Brugia malayi	hypothetical protein	0.0108	0.3324	0.3324
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0061	0.0061
Brugia malayi	MH1 domain containing protein	0.0008	0.0061	0.0061
Entamoeba histolytica	hypothetical protein	0.0108	0.3324	1
Echinococcus multilocularis	protein patched	0.0044	0.1225	0.227
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.1912	0.3588
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.1912	0.3588
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.1225	0.227
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0095	0.0095
Schistosoma mansoni	hypothetical protein	0.0065	0.1912	0.3588
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0138	0.4281	0.4281
Schistosoma mansoni	hypothetical protein	0.014	0.4366	0.8287
Echinococcus granulosus	smad	0.0008	0.0061	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1225	0.1225
Brugia malayi	MH2 domain containing protein	0.0008	0.0061	0.0061
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.1912	0.1912
Echinococcus multilocularis	GPCR, family 2	0.0065	0.1912	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0205	0.648	0.648
Echinococcus granulosus	Niemann Pick C1 protein	0.0102	0.3122	0.5904
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1912	0.1912
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0098	0.0113
Schistosoma mansoni	cpg binding protein	0.003	0.0768	0.1396
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.1225	0.227
Echinococcus granulosus	Smad4	0.0008	0.0061	0.0041
Schistosoma mansoni	hypothetical protein	0.0108	0.3324	0.6291
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0061	0.0041
Loa Loa (eye worm)	hypothetical protein	0.014	0.4366	0.4366
Entamoeba histolytica	hypothetical protein	0.0108	0.3324	1
Echinococcus multilocularis	smad	0.0008	0.0061	0.0041
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.1912	0.3588
Schistosoma mansoni	cpg binding protein	0.0031	0.0823	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1546	0.1546
Schistosoma mansoni	transcription factor LCR-F1	0.0108	0.3324	0.6291
Schistosoma mansoni	hypothetical protein	0.0065	0.1912	0.3588
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0205	0.648	0.648
Brugia malayi	MH1 domain containing protein	0.0008	0.0061	0.0061
Brugia malayi	Smad1	0.0008	0.0061	0.0061
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0205	0.648	0.648
Loa Loa (eye worm)	Smad1	0.0008	0.0061	0.0061
Onchocerca volvulus		0.0313	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.1912	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0102	0.3122	0.3122
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1855	0.3477
Echinococcus multilocularis	Smad4	0.0008	0.0061	0.0041
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0061	0.0041
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.4281	0.8123
Echinococcus multilocularis	expressed conserved protein	0.0096	0.292	0.5518
Brugia malayi	Niemann-Pick C1 protein precursor	0.0102	0.3122	0.3122
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0061	0.0041
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0061	0.0041
Brugia malayi	latrophilin 2 splice variant baaae	0.014	0.4366	0.4366
Schistosoma mansoni	hypothetical protein	0.0168	0.526	1
Plasmodium falciparum	lipid/sterol:H+ symporter	0.0006	0	0.5
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0098	0.0098
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.1225	0.227
Echinococcus granulosus	expressed conserved protein	0.0096	0.292	0.5518
Echinococcus granulosus	Niemann Pick C1 protein	0.0146	0.4548	0.8636
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0061	0.0041
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.3647	0.3647
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0108	0.3324	0.6291
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0108	0.3324	0.6291
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.4281	0.8123
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.1912	0.1912
Brugia malayi	MH2 domain containing protein	0.0008	0.0061	0.0061
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.4281	0.8123
Onchocerca volvulus		0.003	0.0768	0.0768
Schistosoma mansoni	hypothetical protein	0.0065	0.1912	0.3588
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0768	0.0768
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0138	0.4281	0.4281
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0061	0.0041
Brugia malayi	MH2 domain containing protein	0.0118	0.3647	0.3647
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0061	0.0041
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.1225	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0061	0.0061
Schistosoma mansoni	Smad4	0.0008	0.0061	0.0041
Schistosoma mansoni	smad	0.0008	0.0061	0.0041
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.3647	0.3647
Schistosoma mansoni	hypothetical protein	0.0042	0.1173	0.2172
Echinococcus multilocularis	protein dispatched 1	0.005	0.1426	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0313	1	1
Entamoeba histolytica	hypothetical protein	0.0108	0.3324	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0098	0.0113
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0061	0.0041
Schistosoma mansoni	hypothetical protein	0.0168	0.526	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0102	0.3122	0.5904
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.4281	0.8123
Echinococcus granulosus	GPCR family 2	0.0065	0.1912	0.3588

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 20000 nM	Inhibition of rat SCD1	ChEMBL.	20933412

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: CHEMBL1272093

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 1248704