SCHEMBL8926307

SCHEMBL8926307

CC(C)S(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)c(F)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.33
BCAT1 P54687 7/20 0.33
KIF11 P52732 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
SCHEMBL8466083 0.89 BCAT2 (0.34) BCAT2BCAT1
SCHEMBL8925239 0.89 BCAT2 (0.35) BCAT2BCAT1KIF11
SCHEMBL5868194 0.87 PGR (0.35) BCAT2BCAT1KIF11
SCHEMBL8927953 0.80 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL8323113 0.78 PGR (0.35) BCAT2BCAT1KIF11
SCHEMBL8853791 0.78 BCAT2 (0.35) BCAT2BCAT1KIF11
SCHEMBL7742111 0.77 BCAT1 (0.45) BCAT2BCAT1
SCHEMBL7212890 0.77 PGR (0.39) BCAT2BCAT1
SCHEMBL8853375 0.74 JAK2 (0.33) BCAT2BCAT1
SCHEMBL8461514 0.74 PPOX (0.32)

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-5593945-A HERBICIDES AND CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US claimed