SCHEMBL7014653

SCHEMBL7014653

CCCOc1nc2c(C)sc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.39
PPARG P37231 2/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A2 P23975 1/20 0.39
TBXAS1 P24557 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PDE3A Q14432 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MME P08473 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7015555 0.94 AGTR1 (0.45) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL7013375 0.90 MEN1 (0.38) PPARG
SCHEMBL7015927 0.88 KDM4E (0.37) AGTR1AGTR2CYP3A4CYP2C9
SCHEMBL7012223 0.87 AGTR1 (0.39) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL7015586 0.87 PPARG (0.48) PPARG
SCHEMBL7011055 0.87 PPARG (0.40) AGTR1AGTR2PPARG
SCHEMBL683376 0.86 AGTR2 (0.51) AGTR1AGTR2PPARG
SCHEMBL9030827 0.86 AGTR1 (0.42) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL7014753 0.85 AGTR1 (0.39) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL7102934 0.85 AGTR1 (0.40) AGTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed