SCHEMBL7016882

SCHEMBL7016882

CCSc1nc2c(C)sc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2n[nH]c(=O)n2C)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.42
AGTR2 P50052 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL7016159 0.91 AGTR1 (0.40) AGTR1AGTR2MEN1KMT2AALDH1A1
SCHEMBL7018552 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7008878 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7102934 0.85 AGTR1 (0.40) AGTR1
SCHEMBL9030640 0.85 AGTR1 (0.42) AGTR1
SCHEMBL7012917 0.85 AGTR1 (0.42) AGTR1AGTR2NPSR1
SCHEMBL7016755 0.85 AGTR1 (0.40) AGTR1
SCHEMBL7012096 0.85 AGTR1 (0.41) AGTR1
SCHEMBL9032380 0.85 AGTR1 (0.42) AGTR1
SCHEMBL683670 0.84 AGTR1 (0.49) 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