SCHEMBL9387652

SCHEMBL9387652

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPOX P50336 12/20 0.45
BCAT1 P54687 8/20 0.36
BCAT2 O15382 7/20 0.36

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
SCHEMBL9698445 0.81 BCAT1 (0.54) PPOXBCAT1BCAT2
SCHEMBL9698449 0.81 PPOX (0.49) PPOXBCAT1BCAT2
SCHEMBL7162422 0.75 BCAT1 (0.33) BCAT1BCAT2
SCHEMBL8176287 0.74 PPOX (0.45) PPOX
SCHEMBL8543133 0.73 PPOX (0.46) PPOXBCAT1BCAT2
SCHEMBL10530873 0.73 PPOX (0.45) PPOXBCAT1BCAT2
SCHEMBL22495466 0.72 HTT (0.40) BCAT1BCAT2
SCHEMBL9183771 0.71 PPOX (0.46) PPOXBCAT1BCAT2
SCHEMBL4849488 0.71 PPOX (0.42) PPOXBCAT1BCAT2
SCHEMBL10530095 0.71 PPOX (0.44) PPOXBCAT1BCAT2

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-0623117-A1 PYRIMIDIN COMPOUNDS USEFUL AS HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-09 EP claimed