SCHEMBL9698445

SCHEMBL9698445

C=CCOc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 15/20 0.54
BCAT2 O15382 13/20 0.54
PPOX P50336 5/20 0.48

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
SCHEMBL7888891 0.87 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL10572184 0.86 BCAT1 (0.60) BCAT1BCAT2PPOX
SCHEMBL10578333 0.84 BCAT1 (0.57) BCAT1BCAT2PPOX
SCHEMBL10574642 0.83 BCAT1 (0.56) BCAT1BCAT2PPOX
SCHEMBL9186504 0.83 BCAT1 (0.57) BCAT1BCAT2
SCHEMBL9698449 0.83 PPOX (0.49) BCAT1BCAT2PPOX
SCHEMBL10576815 0.82 BCAT1 (0.78) BCAT1BCAT2PPOX
SCHEMBL8924085 0.81 BCAT1 (0.58) BCAT1BCAT2
SCHEMBL9387652 0.81 PPOX (0.45) BCAT1BCAT2PPOX
SCHEMBL10530843 0.79 BCAT1 (0.60) BCAT1BCAT2PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134144-A Insecticides, miticides or nematocides UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-07-28 US disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed