SCHEMBL7364571

SCHEMBL7364571

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
NTSR1 P30989 1/20 0.40
RAB9A P51151 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP17A1 P05093 3/20 0.38
CYP19A1 P11511 3/20 0.38
CYP3A4 P08684 4/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL7366286 0.85 ABCB1 (0.49) ABCB1ABCC1NTSR1RAB9AMKNK1
SCHEMBL7366043 0.84 CYP11B1 (0.44) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7368423 0.83 CYP19A1 (0.50) ABCB1ABCC1RAB9AMKNK1MKNK2
SCHEMBL7365609 0.83 CYP19A1 (0.45) RAB9ACYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL7374321 0.83 CYP11B1 (0.43) RAB9AMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL7370764 0.81 KDM4E (0.48) RAB9AMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL7404660 0.81 MAPK1 (0.46) ABCB1ABCC1NTSR1RAB9ACYP11B1
SCHEMBL7369883 0.80 CYP11B1 (0.46) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7372122 0.80 CYP11B1 (0.46) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7372680 0.80 MAPK1 (0.48) RAB9AMAPTALDH1A1MEN1POLB

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