SCHEMBL8672829

SCHEMBL8672829

C=CC(=O)N(c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 6/20 0.32
BCAT1 P54687 6/20 0.32

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
SCHEMBL6698085 0.89 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL6702559 0.87 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL6694289 0.86 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL6702555 0.86 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL8675532 0.86 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL6699443 0.85 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL6697540 0.85 BCAT2 (0.35) BCAT2BCAT1
SCHEMBL6693965 0.84 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL6699532 0.83 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL6699122 0.83 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-5759957-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-02 US claimed