SCHEMBL27334697

SCHEMBL27334697

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.49
KDM4E B2RXH2 13/20 0.49
HSD17B10 Q99714 5/20 0.49
L3MBTL1 Q9Y468 9/20 0.47
HPGD P15428 7/20 0.47
TDP1 Q9NUW8 6/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GPR55 Q9Y2T6 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 4/20 0.41

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
SCHEMBL5545138 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL3982628 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL30660078 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL28559448 0.87 FFAR1 (0.40) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL29169639 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL6307695 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL9586451 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL2927336 0.79 BDKRB1 (0.49) ALDH1A1KDM4EHSD17B10HPGDCRHBP
SCHEMBL9587439 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL9587150 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD

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
CN-1272325-C Prepn of 1-((2-cyanobiphenyl-4-radical)methyl)-2-ethoxylbenzimidazole-7- ethyl formate as candixatan ester intermediate TIANJIN INST OF PHARMACOLOGY (CN) 2006-08-30 CN 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