SCHEMBL9586285

SCHEMBL9586285

CCOC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2cc(C#N)[nH]c2Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
TP53 P04637 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GNRHR P30968 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
PRKCZ Q05513 1/20 0.31
AR P10275 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL9586936 0.88 FNTA (0.39) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9586519 0.87 FNTA (0.40) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9588068 0.86 FNTA (0.44) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9586774 0.84 FNTA (0.40) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9586917 0.84 FNTA (0.41) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9587683 0.82 FNTA (0.43) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9587776 0.81 FNTA (0.41) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9588162 0.81 FNTA (0.36) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL9587000 0.81 FNTA (0.43) FNTAFNTBTP53MAPTSMN1; SMN2
SCHEMBL8566898 0.81 LTB4R2 (0.39) TP53MAPTSMN1; SMN2LTB4R2L3MBTL1

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