SCHEMBL8344732

SCHEMBL8344732

Cc1c(C(F)(F)F)[nH]c(=O)n(-c2cc3c(C(Br)Br)nsc3cc2F)c1=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 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
SCHEMBL7135299 0.84
SCHEMBL8340623 0.73
SCHEMBL7888968 0.71 RXFP1 (0.40) BCAT1
SCHEMBL22467858 0.70 BCAT1 (0.42) BCAT1
SCHEMBL8345599 0.69 ALDH1A1 (0.32)
SCHEMBL8924647 0.69 TRPA1 (0.36) BCAT1
SCHEMBL22495466 0.69 HTT (0.40) BCAT1
SCHEMBL6983998 0.67
SCHEMBL9387652 0.65 PPOX (0.45) BCAT1
SCHEMBL8624306 0.65 BCAT1 (0.31) BCAT1

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
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed