SCHEMBL7424352

SCHEMBL7424352

Cc1nc(-c2cccc(COc3ccc4c(ccc(=O)n4-c4cccc(C#N)c4)c3)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 5/20 0.44
MAOB P27338 2/20 0.42
MET P08581 1/20 0.40
GRM5 P41594 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
FFAR1 O14842 1/20 0.37
DAO P14920 1/20 0.37
SCN9A Q15858 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
SCHEMBL7426031 0.94 TDP2 (0.44) TDP2MAOBMETGRM5SPHK2
SCHEMBL7424354 0.85 SLC6A4 (0.42) TDP2MAOBMETGRM5SLC6A4
SCHEMBL7433220 0.80 MET (0.49) METSPHK2SPHK1SLC6A4ALOX5AP
SCHEMBL7424903 0.78 ALOX5AP (0.49) METSPHK2SPHK1SLC6A4ALOX5AP
SCHEMBL7429461 0.76 MET (0.50) METSPHK2SPHK1SLC6A4ALOX5AP
SCHEMBL7424878 0.74 PDE3B (0.52) MAOBMETSPHK2SPHK1SLC6A4
SCHEMBL7429033 0.74 ALOX5AP (0.48) METSPHK2SPHK1SLC6A4ALOX5AP
SCHEMBL7428366 0.73 HDAC1 (0.44) METALOX5AP
SCHEMBL7421616 0.73 MAOB (0.52) MAOBMETSPHK2SPHK1SLC6A4
SCHEMBL7420583 0.72 SCN7A (0.40) METALOX5AP

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
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed