SCHEMBL6494928

SCHEMBL6494928

C=CCOc1cc(-n2nc(C(C)(C)C)[nH]c2=O)c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.35
BCAT1 P54687 7/20 0.35
PPOX P50336 6/20 0.33
DHODH Q02127 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
SCHEMBL9139297 0.74 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL7076581 0.72 BCAT2 (0.41) BCAT2BCAT1
SCHEMBL9693054 0.71 PPOX (0.37) BCAT2BCAT1PPOX
SCHEMBL6724560 0.70 PPOX (0.35) BCAT2BCAT1PPOXDHODH
SCHEMBL6494272 0.70 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL9387314 0.69 PPOX (0.52) PPOX
SCHEMBL8109074 0.69 PPOX (0.46) PPOX
SCHEMBL6696956 0.69 BCAT2 (0.41) BCAT2BCAT1PPOX
SCHEMBL9128206 0.68 BCAT1 (0.37) BCAT2BCAT1
SCHEMBL9474632 0.67 PPOX (0.38) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
US-5554580-A N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
US-5006148-A N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP disclosed