SCHEMBL8084094

SCHEMBL8084094

O=C(NNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.51
EPHX2 P34913 4/20 0.47
TRPV1 Q8NER1 3/20 0.46
KIF11 P52732 1/20 0.45
ABL1 P00519 3/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
PPARA Q07869 1/20 0.42
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42

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
Diftrifmeouron SCHEMBL7104017 0.77 EPHX2 (0.63) GAAEPHX2TRPV1MAPTALDH1A1
SCHEMBL27914687 0.76 PTGS2 (0.66) GAAEPHX2TRPV1ALDH1A1RECQL
SCHEMBL9325701 0.75 EPHX2 (0.60) GAAEPHX2TRPV1MAPTALDH1A1
SCHEMBL11319143 0.75 MAPT (0.60) EPHX2TRPV1MAPTALDH1A1
SCHEMBL13806890 0.75 GAA (0.62) GAAMAPTALDH1A1
SCHEMBL6860892 0.74 GAA (0.61) GAAMAPTALDH1A1
SCHEMBL20583818 0.74 EPHX2 (0.61) GAAEPHX2TRPV1MAPT
SCHEMBL8665919 0.72 EPHX2 (0.59) GAAEPHX2TRPV1KIF11MAPT
SCHEMBL28980340 0.72 EPHX2 (0.59) GAAEPHX2TRPV1KIF11MAPT
SCHEMBL6698505 0.72 GPR88 (0.45) EPHX2TRPV1MAPTAURKATPX2

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
US-6013804-A FOR CONTROLLING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-01-11 US disclosed