SCHEMBL8925239

SCHEMBL8925239

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.35
BCAT1 P54687 7/20 0.35
KIF11 P52732 2/20 0.32
PGR P06401 2/20 0.31
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL5868194 0.90 PGR (0.35) BCAT2BCAT1KIF11PGRAR
SCHEMBL8926307 0.89 BCAT2 (0.33) BCAT2BCAT1KIF11
SCHEMBL8323113 0.89 PGR (0.35) BCAT2BCAT1KIF11PGRNR3C1
SCHEMBL8462175 0.84 PPOX (0.39) KIF11
SCHEMBL8927953 0.82 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL8138124 0.82 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL8853791 0.80 BCAT2 (0.35) BCAT2BCAT1KIF11PGR
SCHEMBL7742111 0.79 BCAT1 (0.45) BCAT2BCAT1AR
SCHEMBL7627173 0.79 PGR (0.35) BCAT2BCAT1PGRNR3C1NR3C2
SCHEMBL7212890 0.79 PGR (0.39) BCAT2BCAT1PGRAR

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