SCHEMBL7812804

SCHEMBL7812804

COC(=O)c1ccc2c(-c3ccoc3)cc(C#N)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
PLAU P00749 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
SLC22A12 Q96S37 2/20 0.40
XDH P47989 1/20 0.40
LCK P06239 1/20 0.40
LRRK2 Q5S007 2/20 0.39
NR4A2 P43354 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
KLK1 P06870 1/20 0.37
PRSS1 P07477 1/20 0.37
PTGER2 P43116 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
SCHEMBL9301220 0.79 PTGER2 (0.43) ALOX5PLAUADORA2AADORA1XDH
SCHEMBL7816757 0.78 ALOX5 (0.49) ALOX5SLC22A12XDH
SCHEMBL7812869 0.75 ALOX5 (0.45) ALOX5ADORA2AADORA1SLC22A12XDH
SCHEMBL7813258 0.75 ALOX5 (0.45) ALOX5ADORA2AADORA1SLC22A12XDH
SCHEMBL7809239 0.75 ALOX5 (0.49) ALOX5PLAUADORA1SLC22A12XDH
SCHEMBL5566033 0.72 PLAU (0.64) PLAUXDHLCKF2PLG
SCHEMBL4331915 0.71 ASH1L (0.60) NR4A2PTGER2
SCHEMBL19899928 0.71 KDM4E (0.49) ADORA2AADORA1XDHNR4A2PTGER2
SCHEMBL7812678 0.71 ALOX5 (0.47) ALOX5SLC22A12XDH
SCHEMBL20906151 0.71 SLC22A12 (0.73) PLAUSLC22A12XDH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed