SCHEMBL11287679

SCHEMBL11287679

CC(=O)Nc1ccc(-c2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.66
ABCC1 P33527 6/20 0.66
PIK3CA P42336 1/20 0.53
PIK3CG P48736 1/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
KCNMA1 Q12791 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL11224541 0.90 ABCB1 (0.54) ABCB1ABCC1PIK3CAPIK3CGMAPT
SCHEMBL7466534 0.89 ABCB1 (0.64) ABCB1ABCC1MAPTNPC1KCNMA1
SCHEMBL2282371 0.85 MAPT (0.68) ABCB1ABCC1MAPTNPC1NPSR1
SCHEMBL11222561 0.84 MAPT (0.57) ABCB1ABCC1MAPTNPC1NPSR1
SCHEMBL2645986 0.84 ABCB1 (0.66) ABCB1ABCC1MAPTNPC1NPSR1
SCHEMBL29530549 0.84 ABCB1 (0.62) ABCB1ABCC1MAPTNPC1KCNMA1
SCHEMBL5868784 0.84 ABCB1 (0.62) ABCB1ABCC1MAPTNPC1KCNMA1
SCHEMBL1980974 0.81 ABCB1 (0.55) ABCB1ABCC1MAPTNPC1KMT2A
SCHEMBL10924361 0.80 MAPT (0.50) ABCB1ABCC1MAPTNPC1NPSR1
SCHEMBL11277648 0.79 MAPT (0.53) ABCB1ABCC1MAPTNPC1NPSR1

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
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed