SCHEMBL9159704

SCHEMBL9159704

COC1CCOC(c2cccc(COc3ccc4c(ccc(=O)n4Cc4ccccc4)c3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALOX5 P09917 9/20 0.39
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SRD5A2 P31213 1/20 0.36
MAOB P27338 1/20 0.36
GRM5 P41594 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL9158037 0.94 KMT2A (0.41) KMT2AALOX5CA12CA9NPC1
SCHEMBL9156479 0.89 ALOX5 (0.38) KMT2AALOX5CA12CA9MEN1
SCHEMBL9159373 0.89 ALOX5 (0.49) KMT2AALOX5MEN1NPC1RAB9A
SCHEMBL9156981 0.89 F10 (0.41) KMT2AALOX5F10MEN1NPC1
SCHEMBL9160911 0.86 MEN1 (0.44) KMT2AALOX5CA12CA9MEN1
SCHEMBL9158135 0.85 ALOX5 (0.42) ALOX5CA12CA9NPC1RAB9A
SCHEMBL9155047 0.81 ALOX5 (0.52) ALOX5CA12CA9
SCHEMBL9157666 0.80 ALOX5 (0.39) ALOX5CA12CA9NPC1RAB9A
SCHEMBL9263722 0.79 NPC1 (0.58) KMT2ACA12CA9MEN1NPC1
SCHEMBL9161622 0.79 MAOB (0.39) ALOX5NPC1RAB9AMAOBGRM5

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-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed
WO-1995003300-A1 HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1995-02-02 WO disclosed