SCHEMBL7366043

SCHEMBL7366043

COc1cc(OC)c(-c2nc(C)c(-c3cccnc3)n2O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
CYP17A1 P05093 3/20 0.44
CYP19A1 P11511 3/20 0.44
CYP3A4 P08684 4/20 0.42
PDE10A Q9Y233 7/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.42
PDE2A O00408 4/20 0.42
PDE5A O76074 4/20 0.42
PDE11A Q9HCR9 4/20 0.42
PDE4A P27815 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
PDE3A Q14432 2/20 0.40

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
SCHEMBL7374321 0.92 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370764 0.91 KDM4E (0.48) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7372122 0.87 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7369883 0.87 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370838 0.86 MKNK1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370057 0.85 LMNA (0.43) PDE10AMKNK1MKNK2KDM4EMAPK1
SCHEMBL10563404 0.84 MKNK1 (0.40) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7364571 0.84 ABCB1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7372635 0.83 CYP11B2 (0.52) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370568 0.83 CYP3A4 (0.55) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4

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