SCHEMBL7428366

SCHEMBL7428366

Cc1nc(-c2ccc(Cn3c(=O)ccc4cc(Oc5cccc(C#N)c5)ccc43)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
LMNA P02545 3/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN7A Q01118 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
P2RX3 P56373 4/20 0.40
ALOX5AP P20292 3/20 0.40
PDE5A O76074 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL7420583 0.94 SCN7A (0.40) HDAC1HDAC6HDAC8LMNARAB9A
SCHEMBL7428369 0.86 P2RX3 (0.43) HDAC1HDAC6HDAC8LMNARAB9A
SCHEMBL7424903 0.80 ALOX5AP (0.49) HDAC1HDAC6HDAC8ALOX5APPDE5A
SCHEMBL7429663 0.77 LMNA (0.46) HDAC1HDAC6HDAC8LMNARAB9A
SCHEMBL7421294 0.76 LMNA (0.46) HDAC1HDAC6HDAC8LMNARAB9A
SCHEMBL7433220 0.75 MET (0.49) HDAC1HDAC6HDAC8ALOX5APMET
SCHEMBL7428866 0.74 LMNA (0.47) LMNARAB9AHTTNPC1TP53
SCHEMBL7424857 0.74 MET (0.48) HDAC1HDAC6HDAC8LMNARAB9A
SCHEMBL7429033 0.74 ALOX5AP (0.48) HDAC1HDAC6HDAC8ALOX5APPDE5A
SCHEMBL7420652 0.73 RAB9A (0.41) LMNARAB9AHTTNPC1TP53

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