SCHEMBL9587776

SCHEMBL9587776

CCOC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2c(CC)c[nH]c2C#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.41
FNTB P49356 4/20 0.41
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
GNRHR P30968 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
AR P10275 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CACNA1D Q01668 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL9587614 0.96 FNTA (0.40) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9587000 0.92 FNTA (0.43) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9586774 0.92 FNTA (0.40) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9586917 0.87 FNTA (0.41) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9587683 0.86 FNTA (0.43) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9587078 0.85 FNTA (0.37) FNTAFNTBALDH1A1LMNAL3MBTL1
SCHEMBL9586936 0.84 FNTA (0.39) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9588068 0.84 FNTA (0.44) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9586519 0.83 FNTA (0.40) FNTAFNTBALDH1A1MAPTLMNA
SCHEMBL9586285 0.81 FNTA (0.39) FNTAFNTBALDH1A1MAPTGNRHR

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