SCHEMBL7016189

SCHEMBL7016189

CCSc1nc2c(C)sc(C(=O)O)c2n1Cc1ccc(-c2cccc(-c3nc(=O)o[nH]3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.35
KMT2A Q03164 2/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL9087905 0.94 KDR (0.35) AGTR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7013074 0.94 TSHR (0.36) AGTR1KMT2AALDH1A1TSHR
SCHEMBL7021334 0.92 RXFP1 (0.35) AGTR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL7016755 0.88 AGTR1 (0.40) AGTR1
SCHEMBL9485922 0.87 AGTR1 (0.32) AGTR1KMT2AMEN1ALDH1A1
SCHEMBL7016315 0.81 AGTR1 (0.39) AGTR1
SCHEMBL7012387 0.80 AGTR1 (0.38) AGTR1PPARG
SCHEMBL9485180 0.79 KDM4E (0.32) AGTR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7017562 0.79 AGTR1 (0.40) AGTR1
SCHEMBL7012917 0.78 AGTR1 (0.42) 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-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 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
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed