SCHEMBL7428635

SCHEMBL7428635

Cc1nc(-c2cccc(Oc3ccc4c(c3)c(C(=O)O)cc(=O)n4Cc3ccc4ccc(-c5noc(C)n5)cc4c3)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FBP1 P09467 1/20 0.41
ALOX5AP P20292 3/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 2/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 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
SCHEMBL7428866 0.94 LMNA (0.47) LMNAGAARAB9AHTTNPC1
SCHEMBL7420652 0.90 RAB9A (0.41) LMNAGAARAB9AHTTNPC1
SCHEMBL7432446 0.89 GAA (0.44) LMNAGAARAB9AHTTNPC1
SCHEMBL7542208 0.89 LMNA (0.47) LMNAGAARAB9AHTTNPC1
SCHEMBL7428080 0.88 MET (0.43) LMNAGAARAB9AHTTNPC1
SCHEMBL7420425 0.86 F2 (0.42) LMNAGAARAB9AHTTNPC1
SCHEMBL7424949 0.86 LMNA (0.47) LMNAGAARAB9AHTTNPC1
SCHEMBL7429663 0.83 LMNA (0.46) LMNAGAARAB9AHTTNPC1
SCHEMBL7430917 0.82 MET (0.47) LMNAGAARAB9AHTTNPC1
SCHEMBL7432661 0.81 LMNA (0.47) LMNAGAARAB9AHTTNPC1

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