SCHEMBL7878960

SCHEMBL7878960

O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(Oc2cccc(Br)n2)c(Cl)cc1F

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.54
BCAT2 O15382 18/20 0.54

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
SCHEMBL7023128 0.92 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL7023228 0.90 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL7018456 0.83 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL7021038 0.81 BCAT1 (0.73) BCAT1BCAT2
SCHEMBL7024292 0.81 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL7018426 0.81 BCAT1 (0.58) BCAT1BCAT2
SCHEMBL7023634 0.80 BCAT1 (0.34) BCAT1BCAT2
SCHEMBL7646198 0.80 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL7023085 0.80 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL7024063 0.80 BCAT1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed