SCHEMBL5545138

SCHEMBL5545138

COC(=O)c1cccc(N)c1NCc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 6/20 0.46
KDM4E B2RXH2 6/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
BDKRB1 P46663 2/20 0.42
HSD17B10 Q99714 3/20 0.40
CFTR P13569 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CTSL P07711 1/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GRM5 P41594 1/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
FNTA P49354 1/20 0.37

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
SCHEMBL27334697 0.91 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ECRHBPCRHR2
SCHEMBL28559448 0.90 FFAR1 (0.40) ALDH1A1HPGDKDM4ECRHBPCRHR2
SCHEMBL2927336 0.88 BDKRB1 (0.49) ALDH1A1HPGDKDM4ECRHBPCRHR2
SCHEMBL3976380 0.80 SLC6A3 (0.52) ALDH1A1BDKRB1HSD17B10CFTR
SCHEMBL30660078 0.79 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECRHBPCRHR2
SCHEMBL3982628 0.79 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECRHBPCRHR2
SCHEMBL28451153 0.79 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ECRHBPCRHR2
SCHEMBL9034499 0.78 BDKRB1 (0.46) ALDH1A1HPGDKDM4EBDKRB1HSD17B10
SCHEMBL27964478 0.78 CD274 (0.40) ALDH1A1HPGDKDM4ECRHBPCRHR2
SCHEMBL29169639 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943937-A Synthesis method of triphenyl candesartan 浙江金立源药业有限公司 2020-11-17 CN disclosed
EP-1863801-A2 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
WO-2006107062-A2 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-12 WO disclosed
CN-1058966-C Producing process for crystal of 2-oxyethyl-1-[2'-(1H-tetrazole-5-radical)diphenyl-4-(methyl)benzimidazole-7-hydroxy acid 1-(cyclohexyloxy) ethyl ester TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-11-29 CN disclosed
CN-1048486-C Benzimidazole derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-01-19 CN disclosed
CN-1147515-A Producing process for crystal of 2-oxyethyl-1-[2'-(1H-tetrazole-5-radical)diphenyl-4-(methyl)benzimidazole-7-hydroxy acid 1-(cyclohexyloxy) ethyl ester TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-16 CN disclosed
CN-1055927-A Benzimidazole derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-11-06 CN disclosed