SCHEMBL8725974

SCHEMBL8725974

O=C(Nc1ccccc1)c1cncc(Oc2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.49
NTRK1 P04629 2/20 0.46
KDR P35968 3/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
CDK8 P49336 2/20 0.45
IGF1R P08069 1/20 0.43
TLR8 Q9NR97 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
RAF1 P04049 1/20 0.42
ABL1 P00519 1/20 0.42
LOX P28300 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL8721936 0.92 KCNQ3 (0.47) GRM4NTRK1KDRFLT1FLT4
SCHEMBL8721207 0.83 NTRK1 (0.63) NTRK1TLR8LOXLOXL2GAA
SCHEMBL10134862 0.81 POLB (0.51) IGF1RKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8721048 0.80 GAA (0.59) NTRK1KDRTLR8ABL1GAA
SCHEMBL6944159 0.77 NTRK1 (0.61) NTRK1KDRTLR8GAA
SCHEMBL8723965 0.76 NTRK1 (0.63) NTRK1KDRTLR8GAA
SCHEMBL8720589 0.75 NTRK1 (0.58) NTRK1KDRTLR8GAA
SCHEMBL8720588 0.74 P2RY1 (0.56) NTRK1TLR8GAA
SCHEMBL8725888 0.73 CBLB (0.45) NTRK1KDRIGF1RSCN2ASCN10A
SCHEMBL27682749 0.72 ALDH1A1 (0.52) GRM4CDK8GAA

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
EP-0700391-B1 HERBICIDAL COMPOUNDS SHELL INT RESEARCH (NL) 1998-10-21 EP claimed