SCHEMBL6974181

SCHEMBL6974181

Cc1cc[nH]c1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.42
BCAT2 O15382 17/20 0.42

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
SCHEMBL6980601 0.82 TP53 (0.30)
SCHEMBL7462542 0.81 BCAT1 (0.46) BCAT1BCAT2
SCHEMBL7462378 0.81 BCAT1 (0.44) BCAT1BCAT2
SCHEMBL6770530 0.80 BCAT1 (0.40) BCAT1BCAT2
SCHEMBL6767347 0.79 BCAT1 (0.41) BCAT1BCAT2
SCHEMBL7462374 0.79 BCAT1 (0.42) BCAT1BCAT2
SCHEMBL7462831 0.76 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL6767866 0.74 BCAT1 (0.40) BCAT1BCAT2
SCHEMBL7459552 0.72 BCAT2 (0.44) BCAT1BCAT2
SCHEMBL11781513 0.69 ALDH1A1 (0.56) BCAT1BCAT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed