SCHEMBL8546322

SCHEMBL8546322

COc1cc(-n2c(C(F)(F)F)cc(=O)[nH]c2=O)c(F)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.50
BCAT2 O15382 14/20 0.50

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
SCHEMBL7537781 0.86 BCAT2 (0.45) BCAT1BCAT2
SCHEMBL7653665 0.82 BCAT1 (0.72) BCAT1BCAT2
SCHEMBL7531189 0.81 BCAT1 (0.59) BCAT1BCAT2
SCHEMBL6703569 0.80 BCAT1 (0.46) BCAT1BCAT2
SCHEMBL8422383 0.79 BCAT2 (0.40) BCAT1BCAT2
SCHEMBL8600186 0.78 BCAT2 (0.39) BCAT1BCAT2
SCHEMBL8602347 0.77 BCAT2 (0.39) BCAT1BCAT2
SCHEMBL7742111 0.76 BCAT1 (0.45) BCAT1BCAT2
SCHEMBL7015287 0.76 BCAT1 (0.41) BCAT1BCAT2
SCHEMBL8746379 0.75 BCAT2 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842155-A1 SUBSTITUTED AMINOURACILS BAYER AG (DE) 1998-05-20 EP disclosed
EP-0837853-A1 SUBSTITUTED CYANOPHENYL URACILS BAYER AG (DE) 1998-04-29 EP disclosed
WO-1997005116-A1 SUBSTITUTED AMINOURACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed