SCHEMBL22149148

SCHEMBL22149148

O=C1CCCC(O)=C1C(=O)c1ccc2nccc(Oc3ccccc3Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.38
TGFBR1 P36897 3/20 0.38
DOT1L Q8TEK3 2/20 0.35
MET P08581 3/20 0.35
AXL P30530 2/20 0.35
MERTK Q12866 2/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDR P35968 3/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
LDHA P00338 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
LCK P06239 1/20 0.32
TEK Q02763 1/20 0.32

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
SCHEMBL22149088 0.90 DOT1L (0.37) SRCTGFBR1DOT1LMETAXL
SCHEMBL22148999 0.90 TTR (0.39) METAXLMERTKSMN1; SMN2KDR
SCHEMBL22149104 0.89 SRC (0.40) SRCTGFBR1METAXLMERTK
SCHEMBL22149059 0.89 MET (0.38) SRCTGFBR1METAXLMERTK
SCHEMBL22149060 0.87 SRC (0.37) SRCTGFBR1METAXLMERTK
SCHEMBL22149101 0.85 KDR (0.43) METAXLMERTKHTTKDR
SCHEMBL22149080 0.84 PDGFRA (0.41) METAXLMERTKKDRIDO1
SCHEMBL22148994 0.83 MET (0.51) SRCMETAXLMERTKKDR
SCHEMBL22149082 0.83 MET (0.36) SRCTGFBR1METAXLMERTK
SCHEMBL22149145 0.79 RXRA (0.34) METAXLMERTKSMN1; SMN2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 WO disclosed