SCHEMBL7166377

SCHEMBL7166377

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C=O)c(C#N)cc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.37
BCAT1 P54687 7/20 0.37

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
SCHEMBL7171749 0.88 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL8193759 0.87 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL7692540 0.85 BCAT2 (0.36) BCAT2BCAT1
SCHEMBL5848585 0.85 BCAT1 (0.43) BCAT2BCAT1
SCHEMBL6743751 0.84 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL3901986 0.84 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL7650581 0.84 BCAT2 (0.35) BCAT2BCAT1
SCHEMBL5847499 0.83 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL7158556 0.82
SCHEMBL30084589 0.82

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-6562759-B1 Use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
US-6437126-B1 HERBICIDES; REACTING 1-(4-CYANO-2-FLUORO-5-FORMYL-PHENYL) -3,6-DIHYDRO-2,6-DIOXO-3-METHYL-4-TRIFLUOROMETHYL-1(2H)-PYRIMIDINE WITH METHYOXYAMINE, AN AMINE, MERCAPTAN, OR AN ALCOHOL BAYER AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
US-6245714-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed