SCHEMBL9156479

SCHEMBL9156479

COC1CCOC(c2cccc(COc3ccc4c(ccc(=O)n4-c4ccccc4)c3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.38
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SRD5A2 P31213 1/20 0.36
MAOB P27338 2/20 0.35
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL9159704 0.89 KMT2A (0.41) ALOX5MCHR1KCNH2NPC1RAB9A
SCHEMBL9155027 0.89 MRGPRX4 (0.37) ALOX5MCHR1KCNH2CYP2D6HRH3
SCHEMBL9159373 0.88 ALOX5 (0.49) ALOX5CYP2D6HRH3NPC1RAB9A
SCHEMBL9158037 0.85 KMT2A (0.41) ALOX5NPC1RAB9AKMT2AMAOB
SCHEMBL9160895 0.85 MAOB (0.38) ALOX5NPC1RAB9AMAOBGRM5
SCHEMBL9160911 0.79 MEN1 (0.44) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL9263722 0.78 NPC1 (0.58) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL9161622 0.78 MAOB (0.39) ALOX5MCHR1KCNH2NPC1RAB9A
SCHEMBL9156981 0.78 F10 (0.41) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL9158135 0.77 ALOX5 (0.42) 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