SCHEMBL8624306

SCHEMBL8624306

Cc1c(C(F)(F)F)[nH]c(=O)n(-c2cc3c(cc2F)ONC(=O)C3)c1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.31

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
SCHEMBL8551834 0.77 HSD17B1 (0.31) BCAT1
SCHEMBL22467858 0.72 BCAT1 (0.42) BCAT1
SCHEMBL22495466 0.70 HTT (0.40) BCAT1
SCHEMBL7888968 0.70 RXFP1 (0.40) BCAT1
SCHEMBL8924647 0.68 TRPA1 (0.36) BCAT1
SCHEMBL7162422 0.65 BCAT1 (0.33) BCAT1
SCHEMBL9387652 0.64 PPOX (0.45) BCAT1
SCHEMBL8818661 0.61 BCAT1 (0.32) BCAT1
SCHEMBL22495531 0.61 POLB (0.31)
SCHEMBL9237657 0.61 MAOB (0.45) BCAT1

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
EP-0815106-A1 3-ARYLURACILS AND INTERMEDIATES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed