SCHEMBL11224541

SCHEMBL11224541

CC(=O)Nc1cc(-c2cccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.54
ABCC1 P33527 2/20 0.54
PIK3CA P42336 2/20 0.53
PIK3CG P48736 2/20 0.53
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC2 Q92769 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11287679 0.90 ABCB1 (0.66) ABCB1ABCC1PIK3CAPIK3CGMEN1
SCHEMBL11233932 0.84 HDAC1 (0.48) ABCB1ABCC1CYP11B1CYP11B2KMT2A
SCHEMBL11224469 0.84 PIK3C3 (0.44) ABCB1ABCC1MEN1KMT2AHDAC1
SCHEMBL13833495 0.82 HDAC1 (0.69) ABCB1ABCC1CYP11B1CYP11B2HDAC1
SCHEMBL11225695 0.80 PIK3C3 (0.48) ABCB1ABCC1KMT2ANPC1MAPT
SCHEMBL11224373 0.79 MAPT (0.47) ABCB1ABCC1MEN1KMT2AHDAC1
SCHEMBL7466534 0.79 ABCB1 (0.64) ABCB1ABCC1CYP11B1CYP11B2MEN1
SCHEMBL1663904 0.78 CYP11B1 (0.57) ABCB1ABCC1CYP11B1CYP11B2MEN1
SCHEMBL2203423 0.77 MAPT (0.54) ABCB1ABCC1CYP11B1CYP11B2MEN1
SCHEMBL11371966 0.77 MKNK1 (0.55) ABCB1ABCC1CYP11B1CYP11B2MKNK1

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 4 patents. 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
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed