SCHEMBL16013116

SCHEMBL16013116

CCc1nc2cc(OC)c(Oc3ccc4c(c3)CC(F)(F)C(F)(F)O4)cc2c(OC(=O)OC)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.35
LCK P06239 11/20 0.34
MET P08581 11/20 0.34
TEK Q02763 8/20 0.33
ALDH1A1 P00352 1/20 0.33
AURKA O14965 2/20 0.32
AURKB Q96GD4 2/20 0.32
EGFR P00533 2/20 0.32
FLT3 P36888 2/20 0.32
RIPK2 O43353 1/20 0.32
ABCB11 O95342 1/20 0.32
ABL1 P00519 1/20 0.32
ERBB2 P04626 1/20 0.32
NTRK1 P04629 1/20 0.32
PGR P06401 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 1/20 0.32
CHRM2 P08172 1/20 0.32
HCK P08631 1/20 0.32
ADRA2A P08913 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
SCHEMBL30356348 0.89 KDR (0.36) KDRLCKMETTEKALDH1A1
SCHEMBL253545 0.89 KDR (0.36) KDRLCKMETTEKALDH1A1
SCHEMBL326170 0.82 PDE10A (0.34) KDRLCKMETTEKALDH1A1
SCHEMBL30356307 0.82 PDE10A (0.34) KDRLCKMETTEKALDH1A1
SCHEMBL2446404 0.74 KDR (0.33) KDRLCKMETTEKALDH1A1
SCHEMBL15929951 0.73 ALDH1A1 (0.45) KDRALDH1A1MEN1TP53MAPT
SCHEMBL250753 0.73 ALDH1A1 (0.34) KDRLCKMETTEKALDH1A1
SCHEMBL2446405 0.72 ALDH1A1 (0.33) KDRLCKMETTEKALDH1A1
SCHEMBL29627713 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1679966 0.70 ALDH1A1 (0.36) ALDH1A1

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-2964027-A1 USE OF QUINOLINE DERIVATIVES FOR IMPROVING PLANT YIELD Bayer CropScience AG (DE) 2016-01-13 EP disclosed
WO-2014135481-A1 USE OF QUINOLINE DERIVATIVES FOR IMPROVING PLANT YIELD BAYER CROPSCIENCE AG (DE) 2014-09-12 WO disclosed