SCHEMBL7424878

SCHEMBL7424878

Cc1nc(-c2cccc(COc3ccc4[nH]c(=O)ccc4c3)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.52
PDE3A Q14432 4/20 0.52
SLC6A4 P31645 1/20 0.49
DAO P14920 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 3/20 0.44
ACHE P22303 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
MET P08581 1/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
CFD P00746 1/20 0.40
FLT3 P36888 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL7421616 0.93 MAOB (0.52) PDE3BPDE3ASLC6A4DAOL3MBTL1
SCHEMBL7424881 0.82 SLC6A4 (0.52) SLC6A4DAOL3MBTL1SPHK2SPHK1
SCHEMBL7433220 0.78 MET (0.49) SLC6A4DAOL3MBTL1SPHK2SPHK1
SCHEMBL7429461 0.77 MET (0.50) SLC6A4DAOL3MBTL1SPHK2SPHK1
SCHEMBL7295341 0.76 SPHK2 (0.59) SLC6A4L3MBTL1MAOBSPHK2SPHK1
SCHEMBL7424903 0.76 ALOX5AP (0.49) SLC6A4DAOL3MBTL1SPHK2SPHK1
SCHEMBL3373971 0.75 MAOB (0.65) PDE3BPDE3AL3MBTL1MAOBACHE
SCHEMBL7429033 0.74 ALOX5AP (0.48) SLC6A4DAOL3MBTL1SPHK2SPHK1
SCHEMBL7424352 0.74 TDP2 (0.44) SLC6A4DAOMAOBSPHK2SPHK1
SCHEMBL7426031 0.72 TDP2 (0.44) SLC6A4DAOL3MBTL1MAOBSPHK2

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