SCHEMBL9300748

SCHEMBL9300748

N#Cc1cc(-c2cccs2)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.50
MAOB P27338 3/20 0.49
P2RY14 Q15391 1/20 0.45
IMPDH2 P12268 1/20 0.44
MAOA P21397 1/20 0.42
AS3MT Q9HBK9 2/20 0.40
NSD2 O96028 1/20 0.40
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL12316936 0.77 MAOB (0.57) ALOX5MAOBP2RY14IMPDH2MAOA
SCHEMBL9301481 0.77 P2RY14 (0.57) ALOX5P2RY14FFAR1KDM4EMEN1
SCHEMBL7837193 0.75 MAOB (0.75) ALOX5MAOBIMPDH2MAOAAS3MT
SCHEMBL6100031 0.73 MAOB (0.71) ALOX5MAOBIMPDH2MAOAAS3MT
SCHEMBL1723830 0.71 FFAR1 (0.59) MAOBMAOAFFAR1KDM4EMEN1
SCHEMBL2735788 0.70 MAOB (0.76) ALOX5MAOBIMPDH2MAOAFFAR1
SCHEMBL403151 0.69 MAOB (1.00) ALOX5MAOBMAOAMAPT
SCHEMBL27704705 0.68 FFAR1 (0.58) ALOX5MAOBMAOAFFAR1KDM4E
SCHEMBL29941810 0.67 MAOB (0.70) ALOX5MAOBMAOAMAPT
SCHEMBL538272 0.66 MAOB (0.69) MAOBMAOAFFAR1

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
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed