SCHEMBL7370568

SCHEMBL7370568

COc1ccc(-c2nc(C)c(-c3cccnc3)n2O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
CYP11B2 P19099 10/20 0.53
CYP11B1 P15538 9/20 0.53
CYP17A1 P05093 5/20 0.53
CYP19A1 P11511 3/20 0.48
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP2C9 P11712 3/20 0.45
NPC1 O15118 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
RAB9A P51151 2/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 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
SCHEMBL7372635 0.91 CYP11B2 (0.52) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7371552 0.91 CYP11B1 (0.49) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7370838 0.90 MKNK1 (0.46) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7372273 0.88 MKNK1 (0.43) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7372122 0.88 CYP11B1 (0.46) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7370764 0.87 KDM4E (0.48) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7370785 0.87 CYP3A4 (0.51) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7370931 0.87 CYP11B1 (0.51) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL10567162 0.86 CYP11B2 (0.45) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7373136 0.86 POLB (0.51) CYP3A4CYP1A2CYP11B2CYP11B1CYP17A1

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