SCHEMBL22149059

SCHEMBL22149059

O=C1CCCC(O)=C1C(=O)c1ccc2nccc(Oc3ccccc3F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.38
AXL P30530 3/20 0.38
MERTK Q12866 2/20 0.38
SRC P12931 2/20 0.38
TGFBR1 P36897 2/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.36
KDR P35968 1/20 0.34
ALK Q9UM73 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL22149080 0.91 PDGFRA (0.41) METAXLMERTKKDR
SCHEMBL22149082 0.90 MET (0.36) METAXLMERTKSRCTGFBR1
SCHEMBL22149060 0.89 SRC (0.37) METAXLMERTKSRCTGFBR1
SCHEMBL22149104 0.89 SRC (0.40) METAXLMERTKSRCTGFBR1
SCHEMBL22149148 0.89 SRC (0.38) METAXLMERTKSRCTGFBR1
SCHEMBL22148994 0.87 MET (0.51) METAXLMERTKSRCKDR
SCHEMBL22149088 0.83 DOT1L (0.37) METAXLMERTKSRCTGFBR1
SCHEMBL22148999 0.82 TTR (0.39) METAXLMERTKKDR
SCHEMBL22149101 0.82 KDR (0.43) METAXLMERTKKDR
SCHEMBL22149145 0.81 RXRA (0.34) METAXLMERTKKDM4EL3MBTL1

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