TDR Targets

Basic information

Technical information

TDR Targets ID: 837536
Name: 3-(3-methoxyphenyl)-1-(2-methylphenyl)-5,5-di oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol -2-one
MW: 372.438 | Formula: C19H20N2O4S
H donors: 0 H acceptors: 3 LogP: 2.24 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)N1C2CS(=O)(=O)CC2N(C1=O)c1ccccc1C
InChi: 1S/C19H20N2O4S/c1-13-6-3-4-9-16(13)21-18-12-26(23,24)11-17(18)20(19(21)22)14-7-5-8-15(10-14)25-2/h3-10,17-18H,11-12H2,1-2H3
InChiKey: UAFFNOCINJCIFG-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

5,5-diketo-3-(3-methoxyphenyl)-1-(2-methylphenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Oprea1_502064
T5463014
Oprea1_276502

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
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0172	0.0578	1
Brugia malayi	nicalin	0.0172	0.0578	1
Leishmania major	hypothetical protein, conserved	0.0172	0.0578	0.5
Schistosoma mansoni	mannosyl-oligosaccharidealpha-12-mannosidase-r el ated	0.0063	0.0163	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0578	0.0576
Onchocerca volvulus	Fxna peptidase homolog	0.0172	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0003	0.0000040402
Onchocerca volvulus	Fxna peptidase homolog	0.0172	0.0578	1
Schistosoma mansoni	lamin	0.0044	0.0089	0.0135
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0172	0.0578	0.0904
Toxoplasma gondii	hypothetical protein	0.0172	0.0578	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0023	0.0012	0.0154
Loa Loa (eye worm)	hypothetical protein	0.2416	0.9105	0.9104
Brugia malayi	Pre-SET motif family protein	0.0147	0.0481	0.8304
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.008	0.0227	0.0229
Schistosoma mansoni	protease	0.0063	0.0163	0.0251
Brugia malayi	FXNA	0.0172	0.0578	1
Plasmodium vivax	SET domain protein, putative	0.0021	0.0003	0.5
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0323	0.032
Trypanosoma brucei	glutaminyl cyclase, putative	0.0172	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.176	0.6609	0.6608
Brugia malayi	Intermediate filament tail domain containing protein	0.0044	0.0089	0.1492
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0086	0.0083
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.008	0.0227	0.3917
Brugia malayi	PA domain containing protein	0.0063	0.0163	0.2781
Onchocerca volvulus		0.0172	0.0578	1
Trichomonas vaginalis	conserved hypothetical protein	0.0172	0.0578	1
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0172	0.0578	1
Toxoplasma gondii	peptidase, M28 family protein	0.0172	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0323	0.032
Loa Loa (eye worm)	leucyl aminopeptidase	0.0172	0.0578	0.0576
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0172	0.0578	1
Schistosoma mansoni	intermediate filament proteins	0.0044	0.0089	0.0135
Trichomonas vaginalis	conserved hypothetical protein	0.0172	0.0578	1
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0172	0.0578	0.059
Schistosoma mansoni	zinc finger protein	0.0063	0.0163	0.0251
Echinococcus granulosus	expressed protein	0.0063	0.0163	0.2817
Echinococcus granulosus	intermediate filament protein	0.0044	0.0089	0.1536
Onchocerca volvulus		0.0063	0.0163	0.2781
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0044	0.0089	0.0086
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.008	0.0227	0.3917
Leishmania major	glutaminyl cyclase, putative	0.0172	0.0578	0.5
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0172	0.0578	1
Echinococcus multilocularis	expressed protein	0.0063	0.0163	0.0164
Echinococcus granulosus	lamin dm0	0.0044	0.0089	0.1536
Toxoplasma gondii	hypothetical protein	0.0063	0.0163	0.2781
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.008	0.0227	0.3885
Onchocerca volvulus	Fxna peptidase homolog	0.0172	0.0578	1
Schistosoma mansoni	lamin	0.0044	0.0089	0.0135
Onchocerca volvulus		0.0044	0.0089	0.1492
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0147	0.0481	0.0478
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.1696	0.6369	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0003	0.0051
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0172	0.0578	0.0904
Echinococcus multilocularis	muscleblind protein	0.0105	0.0323	0.0328
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.0236	0.0818	1
Loa Loa (eye worm)	PA domain-containing protein	0.0063	0.0163	0.016
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0021	0.0003	0.0000041395
Echinococcus multilocularis	e3 ubiquitin protein ligase RNF13	0.0063	0.0163	0.0164
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.0236	0.0818	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.008	0.0227	0.0229
Brugia malayi	leucyl aminopeptidase	0.0172	0.0578	1
Loa Loa (eye worm)	intermediate filament protein	0.0044	0.0089	0.0086
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0172	0.0578	0.059
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.008	0.0227	0.0351
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.2589	0.976	1
Trichomonas vaginalis	conserved hypothetical protein	0.0172	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0578	0.0576
Echinococcus granulosus	er degradation enhancing alpha mannosidase	0.0063	0.0163	0.2817
Onchocerca volvulus		0.0167	0.0558	0.9643
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0572	0.2096	0.2146
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0172	0.0578	0.059
Onchocerca volvulus	Putative zinc finger protein	0.0063	0.0163	0.2781
Echinococcus granulosus	muscleblind protein	0.0105	0.0323	0.559
Echinococcus multilocularis	lamin dm0	0.0044	0.0089	0.0088
Onchocerca volvulus		0.0044	0.0089	0.1492
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0172	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0578	0.0576
Echinococcus granulosus	lamin	0.0044	0.0089	0.1536
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0023	0.0012	0.0009
Echinococcus multilocularis	muscleblind protein 1	0.0105	0.0323	0.0328
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.008	0.0227	0.0224
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0172	0.0578	0.5
Brugia malayi	Peptidase family M28 containing protein	0.0172	0.0578	1
Echinococcus multilocularis	musashi	0.0044	0.0089	0.0088
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0172	0.0578	0.5
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0172	0.0578	0.0904
Brugia malayi	intermediate filament protein	0.0044	0.0089	0.1492
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0089	0.0086
Brugia malayi	Muscleblind-like protein	0.0105	0.0323	0.5568
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.008	0.0227	0.0351
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0021	0.0003	0.0052
Echinococcus granulosus	e3 ubiquitin protein ligase RNF13	0.0063	0.0163	0.2817
Schistosoma mansoni	nicalin (M28 family)	0.0172	0.0578	0.0904
Schistosoma mansoni	zinc finger protein	0.0063	0.0163	0.0251
Echinococcus multilocularis	lamin	0.0044	0.0089	0.0088
Echinococcus multilocularis	er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha	0.0063	0.0163	0.0164
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.008	0.0227	0.0351

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 837536