SCHEMBL7370931

SCHEMBL7370931

COc1cc(OCc2ccccc2)ccc1-c1nc(C)c(-c2cccnc2)n1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.51
CYP11B2 P19099 9/20 0.51
CYP19A1 P11511 3/20 0.47
MAPT P10636 5/20 0.46
PDE10A Q9Y233 2/20 0.45
PDE2A O00408 1/20 0.45
CYP3A4 P08684 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
IKBKB O14920 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PDPK1 O15530 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYP17A1 P05093 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL7371552 0.88 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1MAPTCYP3A4
SCHEMBL7370568 0.87 CYP3A4 (0.55) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A1
SCHEMBL7370838 0.82 MKNK1 (0.46) CYP11B1CYP11B2CYP19A1MAPTPDE10A
SCHEMBL7373136 0.80 POLB (0.51) CYP11B1CYP11B2CYP19A1MAPTPDE10A
SCHEMBL7372122 0.80 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1PDE10APDE2A
SCHEMBL7370764 0.79 KDM4E (0.48) CYP11B1CYP11B2CYP19A1MAPTPDE10A
SCHEMBL7372635 0.79 CYP11B2 (0.52) CYP11B1CYP11B2CYP19A1PDE10APDE2A
SCHEMBL7373247 0.79 HTT (0.45) CYP11B1CYP11B2CYP19A1MAPTCYP3A4
SCHEMBL7372273 0.78 MKNK1 (0.43) CYP11B1CYP11B2CYP19A1PDE10APDE2A
SCHEMBL7373044 0.78 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1MAPTPDE10A

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