SCHEMBL9587158

SCHEMBL9587158

CCOC(=O)c1cccc(N)c1NCc1ccc(-c2c(C#N)[nH]c(C)c2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
PDE5A O76074 2/20 0.39
CDC25B P30305 2/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.36
AGTR1 P30556 4/20 0.36
AGTR2 P50052 4/20 0.36
METTL3 Q86U44 1/20 0.36
MEN1 O00255 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL9587493 0.91 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMT2ALMNA
SCHEMBL9586859 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EKMT2ALMNA
SCHEMBL9587439 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4ELMNAPDE5A
SCHEMBL9588421 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMT2ALMNA
SCHEMBL9586451 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ELMNAPDE5A
SCHEMBL3982628 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNACDC25B
SCHEMBL30660078 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNACDC25B
SCHEMBL9586001 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EKMT2ALMNA
SCHEMBL9587150 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMT2ALMNA
SCHEMBL9587389 0.77 AR (0.41) ALDH1A1HSD17B10KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993018030-A1 BENZIMIDAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-16 WO disclosed