SCHEMBL5846798

SCHEMBL5846798

Cc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.58
BCAT2 O15382 18/20 0.55

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
SCHEMBL24825954 0.95 BCAT1 (0.61) BCAT1BCAT2
SCHEMBL6231046 0.84 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL10529989 0.83 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL24961338 0.82 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL7887437 0.81 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL7097723 0.80 BCAT1 (0.47) BCAT1BCAT2
SCHEMBL9189221 0.79 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL8898752 0.78 BCAT1 (0.58) BCAT1BCAT2
SCHEMBL7098307 0.78 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL7668423 0.78 BCAT1 (0.54) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105640-B2 Anti-pro792 antibodies GENENTECH, INC. (US) 2006-09-12 US disclosed
US-6992044-B1 Substituted phenyluracils BAYER CROPSCIENCE AG (DE) 2006-01-31 US disclosed
EP-1330443-A1 SUBSTITUTED PHENYLURACILS Bayer CropScience AG (DE) 2003-07-30 EP disclosed
WO-2002034725-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AG (DE) 2002-05-02 WO disclosed