SCHEMBL13314799

SCHEMBL13314799

CC(C)N(C)CNC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.42
BCAT2 O15382 17/20 0.42
POLB P06746 1/20 0.32
APEX1 P27695 1/20 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
SCHEMBL341599 0.85 BCAT1 (0.42) BCAT1BCAT2
SCHEMBL9877348 0.84 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL26563103 0.84 BCAT1 (0.42) BCAT1BCAT2POLBAPEX1
SCHEMBL9423008 0.79 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL25047106 0.79 BCAT1 (0.46) BCAT1BCAT2POLBAPEX1
SCHEMBL10532221 0.78 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL22720000 0.78 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL3321881 0.78 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL9796342 0.78 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL9878950 0.78 BCAT1 (0.47) 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-7737275-B2 Method for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils BASF AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed