SCHEMBL9160050

SCHEMBL9160050

COC1CCOC(c2cccc(COc3ccc4c(-c5ccccc5)cc(C#N)nc4c3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.41
PARP14 Q460N5 1/20 0.36
CD274 Q9NZQ7 3/20 0.35
PDCD1 Q15116 2/20 0.35
MAOB P27338 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
SCHEMBL9159680 0.89 ALOX5 (0.39) ALOX5PARP14MAOB
SCHEMBL9154667 0.89 ALOX5 (0.39) ALOX5PARP14MAOB
SCHEMBL9159665 0.88 ALOX5 (0.37) ALOX5CD274PDCD1MAOB
SCHEMBL9254545 0.80 MAOB (0.61) MAOB
SCHEMBL9161622 0.78 MAOB (0.39) ALOX5MAOB
SCHEMBL9154816 0.78 MAOB (0.38) ALOX5MAOB
SCHEMBL9158135 0.78 ALOX5 (0.42) ALOX5MAOB
SCHEMBL9161437 0.77 GRM4 (0.39) ALOX5
SCHEMBL9160895 0.77 MAOB (0.38) ALOX5MAOB
SCHEMBL9301503 0.76 ALOX5 (0.60) ALOX5CD274PDCD1

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 1 patent. 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