SCHEMBL7656343

SCHEMBL7656343

CSc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.37
BCAT1 P54687 7/20 0.37
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8193759 0.87 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL8406950 0.85
SCHEMBL5848585 0.85 BCAT1 (0.43) BCAT2BCAT1
SCHEMBL26420117 0.84 BCAT2 (0.34) BCAT2BCAT1
SCHEMBL22519951 0.84 BCAT2 (0.35) BCAT2BCAT1
SCHEMBL22519753 0.84 BCAT2 (0.35) BCAT2BCAT1
SCHEMBL6743751 0.84 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL3901986 0.84 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL26420105 0.84 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL26420119 0.84 BCAT2 (0.33) BCAT2BCAT1

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
US-6495491-B1 HERBICIDES AND INSECTICIDES; DEFOLIANTS, DESICCANTS, HAULM KILLERS AND ESPECIALLY WEED KILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed