SCHEMBL9587683

SCHEMBL9587683

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.43
FNTB P49356 6/20 0.43
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33
MAPT P10636 5/20 0.32
LMNA P02545 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CACNA1D Q01668 1/20 0.32
HTT P42858 2/20 0.32
THRB P10828 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
GNRHR P30968 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9586917 0.93 FNTA (0.41) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9587000 0.88 FNTA (0.43) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9586519 0.87 FNTA (0.40) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9587776 0.86 FNTA (0.41) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9586774 0.85 FNTA (0.40) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9586936 0.85 FNTA (0.39) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9588068 0.85 FNTA (0.44) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9587614 0.85 FNTA (0.40) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL9586285 0.82 FNTA (0.39) FNTAFNTBALDH1A1GAASMN1; SMN2
SCHEMBL7480667 0.81 L3MBTL1 (0.47) ALDH1A1GAASMN1; SMN2ARMAPT

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