SCHEMBL22148992

SCHEMBL22148992

Cc1nn(C)c(O)c1C(=O)c1ccc2nccc(Oc3c(Cl)cccc3Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.40
KDR P35968 6/20 0.37
HPD P32754 2/20 0.36
RORC P51449 3/20 0.36
RARG P13631 2/20 0.36
PDGFRA P16234 1/20 0.35
MGLL Q99685 1/20 0.35
SRC P12931 3/20 0.35
TGFBR1 P36897 3/20 0.35
DDR2 Q16832 1/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL22149064 0.90 SRC (0.41) DOT1LKDRHPDMGLLSRC
SCHEMBL22149000 0.88 KDR (0.36) KDRHPDPDGFRAMGLLSRC
SCHEMBL22149092 0.88 MGLL (0.39) DOT1LKDRMGLLTGFBR1DDR2
SCHEMBL22149005 0.85 TTR (0.40) KDRHPDPDGFRASRCTGFBR1
SCHEMBL22149076 0.85 KDR (0.48) KDRPDGFRADDR2
SCHEMBL22149107 0.84 SRC (0.42) KDRHPDPDGFRASRCTGFBR1
SCHEMBL22149095 0.83 SRC (0.40) DOT1LKDRHPDPDGFRASRC
SCHEMBL22149057 0.82 SRC (0.41) KDRHPDSRCTGFBR1GPBAR1
SCHEMBL22149001 0.81 MET (0.50) KDRPDGFRASRCDDR2
SCHEMBL22149056 0.80 GPBAR1 (0.40) KDRSRCTGFBR1GPBAR1

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