SCHEMBL7370785

SCHEMBL7370785

CCc1nc(-c2ccc(OC)cc2OC)n(O)c1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.51
CYP1A2 P05177 5/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
CYP11B2 P19099 10/20 0.49
CYP11B1 P15538 9/20 0.49
CYP17A1 P05093 5/20 0.49
CYP19A1 P11511 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2D6 P10635 4/20 0.44
CLK4 Q9HAZ1 4/20 0.44
CYP2C19 P33261 3/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NPC1 O15118 2/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7370568 0.87 CYP3A4 (0.55) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7371552 0.82 CYP11B1 (0.49) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7369606 0.82 NPC1 (0.49) MKNK1MKNK2NPC1HSD17B10KDM4E
SCHEMBL7372635 0.78 CYP11B2 (0.52) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7370931 0.77 CYP11B1 (0.51) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7370838 0.77 MKNK1 (0.46) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7372273 0.76 MKNK1 (0.43) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7372122 0.75 CYP11B1 (0.46) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7371766 0.74 PDE2A (0.53) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2
SCHEMBL7370764 0.74 KDM4E (0.48) CYP3A4CYP1A2CYP1A1CYP1B1CYP11B2

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