SCHEMBL22149088

SCHEMBL22149088

O=C1CCCC(O)=C1C(=O)c1ccc2nccc(Oc3c(Cl)cccc3Cl)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.37
KDR P35968 4/20 0.34
MET P08581 2/20 0.33
AXL P30530 2/20 0.33
MERTK Q12866 2/20 0.33
PDGFRA P16234 2/20 0.33
SRC P12931 1/20 0.32
TGFBR1 P36897 1/20 0.32
POLB P06746 1/20 0.32
DDR2 Q16832 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
FGFR2 P21802 1/20 0.32
RARG P13631 1/20 0.31
RORC P51449 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL22149148 0.90 SRC (0.38) DOT1LKDRMETAXLMERTK
SCHEMBL22149082 0.89 MET (0.36) KDRMETAXLMERTKPDGFRA
SCHEMBL22148999 0.86 TTR (0.39) KDRMETAXLMERTKPDGFRA
SCHEMBL22149101 0.85 KDR (0.43) KDRMETAXLMERTKPDGFRA
SCHEMBL22149059 0.83 MET (0.38) KDRMETAXLMERTKSRC
SCHEMBL22149104 0.83 SRC (0.40) KDRMETAXLMERTKPDGFRA
SCHEMBL22148994 0.82 MET (0.51) KDRMETAXLMERTKPDGFRA
SCHEMBL22149060 0.81 SRC (0.37) KDRMETAXLMERTKSRC
SCHEMBL22149080 0.80 PDGFRA (0.41) KDRMETAXLMERTKPDGFRA
SCHEMBL22149145 0.79 RXRA (0.34) METAXLMERTKPOLBSMN1; SMN2

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