SCHEMBL29779221

SCHEMBL29779221

COc1cc(C#N)c(Oc2ccccc2Cl)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.81
BCAT2 O15382 16/20 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
SCHEMBL24824010 1.00 BCAT1 (0.81) BCAT1BCAT2
SCHEMBL29779244 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779296 0.90 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL24824104 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825601 0.90 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL24823979 0.89 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779322 0.89 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825925 0.88 BCAT1 (0.85) BCAT1BCAT2
SCHEMBL29779237 0.88 BCAT1 (0.85) BCAT1BCAT2
SCHEMBL23195555 0.85 BCAT1 (0.79) 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