SCHEMBL7366286

SCHEMBL7366286

COc1cc(NC(C)=O)c([N+](=O)[O-])cc1-c1nc(C)c(-c2cccnc2)n1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.49
ABCC1 P33527 2/20 0.49
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.39
NTSR1 P30989 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ATR Q13535 1/20 0.38
MEN1 O00255 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL7370057 0.86 LMNA (0.43) ABCB1ABCC1ATRMKNK1MKNK2
SCHEMBL7364571 0.85 ABCB1 (0.42) ABCB1ABCC1NPC1MAPTKMT2A
SCHEMBL7370123 0.81 ABCB1 (0.49) ABCB1ABCC1NPC1MAPTKMT2A
SCHEMBL7367135 0.81 CYP11B1 (0.52) NPC1MAPTKMT2ARAB9AALDH1A1
SCHEMBL7368423 0.80 CYP19A1 (0.50) ABCB1ABCC1KMT2ARAB9AALDH1A1
SCHEMBL7365609 0.80 CYP19A1 (0.45) MAPTKMT2ARAB9AALDH1A1MEN1
SCHEMBL7370764 0.78 KDM4E (0.48) NPC1MAPTRAB9AMKNK1MKNK2
SCHEMBL7404660 0.77 MAPK1 (0.46) ABCB1ABCC1NPC1MAPTKMT2A
SCHEMBL7372680 0.76 MAPK1 (0.48) NPC1MAPTKMT2ARAB9AALDH1A1
SCHEMBL7366043 0.74 CYP11B1 (0.44) MKNK1MKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed