SCHEMBL7420583

SCHEMBL7420583

Cc1nc(-c2ccc3ccc(Cn4c(=O)ccc5cc(Oc6cccc(C#N)c6)ccc54)cc3c2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
MET P08581 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
P2RX3 P56373 4/20 0.37
KMT2A Q03164 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 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
SCHEMBL7428366 0.94 HDAC1 (0.44) SCN7ASCN5ASCN2ASCN8AMET
SCHEMBL7420652 0.80 RAB9A (0.41) METNPC1LMNATP53GAA
SCHEMBL7428369 0.80 P2RX3 (0.43) METNPC1LMNATP53GAA
SCHEMBL7420425 0.79 F2 (0.42) METNPC1LMNATP53GAA
SCHEMBL7428635 0.77 LMNA (0.42) METNPC1LMNATP53GAA
SCHEMBL7433996 0.77 LMNA (0.43) NPC1LMNATP53GAAMAPK1
SCHEMBL7433220 0.76 MET (0.49) METHDAC1HDAC6HDAC8KMT2A
SCHEMBL7424903 0.76 ALOX5AP (0.49) METHDAC1HDAC6HDAC8KMT2A
SCHEMBL7424857 0.75 MET (0.48) METNPC1LMNATP53GAA
SCHEMBL7428420 0.73 MET (0.47) METLMNARAB9AHDAC1HDAC6

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