SCHEMBL7429461

SCHEMBL7429461

Cc1nc(-c2cccc(COc3ccc4ccc(=O)n(Cc5cccc(-c6noc(C)n6)c5)c4c3)c2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.50
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 1/20 0.43
ALOX5AP P20292 3/20 0.43
DAO P14920 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
PDE5A O76074 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 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
SCHEMBL7429033 0.95 ALOX5AP (0.48) METSPHK2SPHK1HCRTR1HCRTR2
SCHEMBL7433220 0.93 MET (0.49) METSPHK2SPHK1HCRTR1HCRTR2
SCHEMBL7424903 0.89 ALOX5AP (0.49) METSPHK2SPHK1HCRTR1HCRTR2
SCHEMBL7433223 0.83 MET (0.50) METSPHK2SPHK1HCRTR1HCRTR2
SCHEMBL7421328 0.81 MET (0.52) METSPHK2SPHK1HCRTR1HCRTR2
SCHEMBL7424857 0.80 MET (0.48) METHCRTR1HCRTR2KMT2AL3MBTL1
SCHEMBL7426031 0.80 TDP2 (0.44) METSPHK2SPHK1L3MBTL1SLC6A4
SCHEMBL7428420 0.79 MET (0.47) METHCRTR1HCRTR2KMT2AL3MBTL1
SCHEMBL7424907 0.79 SLC6A4 (0.47) METSPHK2SPHK1HCRTR1HCRTR2
SCHEMBL7421616 0.77 MAOB (0.52) METSPHK2SPHK1HCRTR1HCRTR2

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