SCHEMBL7429663

SCHEMBL7429663

Cc1nc(-c2ccc(Cn3c(=O)cc(C)c4cc(Oc5cccc(-c6noc(C)n6)c5)ccc43)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
DRD2 P14416 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALOX5AP P20292 3/20 0.40
MET P08581 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
SCHEMBL7430917 0.94 MET (0.47) LMNARAB9AHTTNPC1TP53
SCHEMBL7420652 0.93 RAB9A (0.41) LMNARAB9AHTTNPC1TP53
SCHEMBL7421294 0.93 LMNA (0.46) LMNARAB9AHTTNPC1TP53
SCHEMBL7428866 0.89 LMNA (0.47) LMNARAB9AHTTNPC1TP53
SCHEMBL7424949 0.87 LMNA (0.47) LMNARAB9AHTTNPC1TP53
SCHEMBL7420425 0.86 F2 (0.42) LMNARAB9AHTTNPC1TP53
SCHEMBL7542208 0.84 LMNA (0.47) LMNARAB9AHTTNPC1TP53
SCHEMBL7432446 0.83 GAA (0.44) LMNARAB9AHTTNPC1TP53
SCHEMBL7428635 0.83 LMNA (0.42) LMNARAB9AHTTNPC1TP53
SCHEMBL7432661 0.82 LMNA (0.47) 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