SCHEMBL6908243

SCHEMBL6908243

C#CC(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 15/20 0.41
BCAT2 O15382 14/20 0.41
AR P10275 1/20 0.31
DHODH Q02127 2/20 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
SCHEMBL6696927 0.90 BCAT2 (0.43) BCAT1BCAT2
SCHEMBL6693958 0.86 BCAT2 (0.42) BCAT1BCAT2DHODH
SCHEMBL9050670 0.86 PPOX (0.35) BCAT1BCAT2DHODH
SCHEMBL6703569 0.84 BCAT1 (0.46) BCAT1BCAT2AR
SCHEMBL6701041 0.83 BCAT2 (0.42) BCAT1BCAT2
SCHEMBL6697860 0.83 BCAT2 (0.42) BCAT1BCAT2
SCHEMBL6698531 0.82 BCAT2 (0.44) BCAT1BCAT2AR
SCHEMBL6235118 0.82 BCAT2 (0.38) BCAT1BCAT2
SCHEMBL8193759 0.81 BCAT2 (0.40) BCAT1BCAT2AR
SCHEMBL6694518 0.80 BCAT2 (0.45) BCAT1BCAT2AR

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-6734139-B1 N-aryl-uracile-based herbicides BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US claimed