SCHEMBL7675744

SCHEMBL7675744

O=C=Nc1cc(F)c(C(F)(F)F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.32
CYP3A4 P08684 3/20 0.32
TRPA1 O75762 1/20 0.32
GPR3 P46089 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9728471 0.82
SCHEMBL160626 0.79 CYP3A4 (0.38) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1897709 0.75 CYP3A4 (0.35) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL15850523 0.73 KIF11 (0.44) KIF11GPR3
SCHEMBL13933285 0.73 KIF11 (0.32) KIF11GPR3
SCHEMBL10347965 0.72 TDP1 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL424482 0.72 IDO1 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL4462791 0.72 KIF11 (0.45) KIF11CYP3A4TRPA1TDP1
SCHEMBL30438763 0.72 IDO1 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL29648906 0.72 MAPK1 (0.44) KIF11CYP3A4TRPA1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed
EP-0246061-B1 A BENZOYLUREA DERIVATIVE AND ITS PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-18 EP disclosed
EP-0246061-A2 A benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-19 EP disclosed