SCHEMBL29779306

SCHEMBL29779306

Cc1ccc(Oc2cc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c(F)cc2C#N)c(C)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.81
BCAT2 O15382 17/20 0.81

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
SCHEMBL24825965 1.00 BCAT1 (0.81) BCAT1BCAT2
SCHEMBL24824016 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779304 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779272 0.89 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL24824854 0.89 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL24825619 0.87 BCAT1 (0.88) BCAT1BCAT2
SCHEMBL29779229 0.87 BCAT1 (0.88) BCAT1BCAT2
SCHEMBL24823997 0.86 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779240 0.86 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL23195530 0.85 BCAT1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP claimed
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP disclosed