SCHEMBL7538643

SCHEMBL7538643

CCc1c(C)c2ccc(Oc3cccc(-c4noc(C)n4)c3)cc2n(Cc2ccc3ccc(-c4noc(C)n4)cc3c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
PRSS1 P07477 2/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 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
SMN1; SMN2 Q16637 1/20 0.39
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MET P08581 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5AP P20292 3/20 0.35
FBP1 P09467 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7428987 0.94 LMNA (0.43) LMNARAB9ANPC1TP53GAA
SCHEMBL7428004 0.93 HCRTR1 (0.44) LMNARAB9ANPC1TP53GAA
SCHEMBL7420425 0.85 F2 (0.42) F2F10PRSS1LMNARAB9A
SCHEMBL7420652 0.80 RAB9A (0.41) F2F10PRSS1LMNARAB9A
SCHEMBL7428635 0.79 LMNA (0.42) F2F10PRSS1LMNARAB9A
SCHEMBL7421294 0.78 LMNA (0.46) LMNARAB9ANPC1TP53GAA
SCHEMBL7433996 0.78 LMNA (0.43) LMNARAB9ANPC1TP53GAA
SCHEMBL7420509 0.77 F10 (0.68) F2F10PRSS1
SCHEMBL7542208 0.75 LMNA (0.47) LMNARAB9ANPC1TP53GAA
SCHEMBL7428080 0.74 MET (0.43) LMNARAB9ANPC1TP53GAA

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