SCHEMBL7429033

SCHEMBL7429033

Cc1nc(-c2ccc(Cn3c(=O)ccc4ccc(OCc5cccc(-c6noc(C)n6)c5)cc43)cc2)no1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.48
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 2/20 0.47
MET P08581 1/20 0.46
PDE5A O76074 1/20 0.45
SLC6A4 P31645 1/20 0.43
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DAO P14920 1/20 0.40
DRD2 P14416 1/20 0.40
KMT2A Q03164 1/20 0.39
SMPD1 P17405 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL7429461 0.95 MET (0.50) ALOX5APSPHK2SPHK1HDAC1HDAC6
SCHEMBL7424903 0.94 ALOX5AP (0.49) ALOX5APSPHK2SPHK1HDAC1HDAC6
SCHEMBL7433220 0.89 MET (0.49) ALOX5APSPHK2SPHK1HDAC1HDAC6
SCHEMBL7424907 0.84 SLC6A4 (0.47) ALOX5APSPHK2SPHK1HDAC1HDAC6
SCHEMBL7433223 0.79 MET (0.50) SPHK2SPHK1METSLC6A4HCRTR1
SCHEMBL7426031 0.78 TDP2 (0.44) ALOX5APSPHK2SPHK1METSLC6A4
SCHEMBL7421328 0.77 MET (0.52) SPHK2SPHK1HDAC1HDAC6HDAC8
SCHEMBL7424857 0.76 MET (0.48) ALOX5APHDAC1HDAC6HDAC8MET
SCHEMBL7421294 0.76 LMNA (0.46) ALOX5APSPHK2SPHK1HDAC1HDAC6
SCHEMBL7538317 0.75 ALOX5AP (0.43) ALOX5APSPHK2SPHK1METHCRTR1

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