SCHEMBL7428004

SCHEMBL7428004

CCc1c(C)c2ccc(Oc3cccc(-c4noc(C)n4)c3)cc2n(Cc2cccc(-c3noc(C)n3)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.44
HCRTR2 O43614 4/20 0.44
MET P08581 1/20 0.42
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
DAO P14920 1/20 0.37
MAPT P10636 4/20 0.36
BUB1 O43683 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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) HCRTR1HCRTR2METLMNARAB9A
SCHEMBL7538643 0.93 F2 (0.40) HCRTR1HCRTR2METLMNARAB9A
SCHEMBL7428080 0.80 MET (0.43) HCRTR1HCRTR2METLMNARAB9A
SCHEMBL7430917 0.79 MET (0.47) HCRTR1HCRTR2METLMNARAB9A
SCHEMBL7421294 0.78 LMNA (0.46) HCRTR1HCRTR2METLMNARAB9A
SCHEMBL7420425 0.77 F2 (0.42) HCRTR1HCRTR2METLMNARAB9A
SCHEMBL7433951 0.77 L3MBTL1 (0.43) HCRTR1HCRTR2LMNARAB9ANPC1
SCHEMBL7427220 0.76 F10 (0.54)
SCHEMBL7542208 0.75 LMNA (0.47) LMNARAB9ANPC1TP53GAA
SCHEMBL7432661 0.73 LMNA (0.47) HCRTR1HCRTR2LMNARAB9ANPC1

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