SCHEMBL29779341

SCHEMBL29779341

Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)Cl)[nH]c2=O)c(F)cc1C#N

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.86
BCAT2 O15382 16/20 0.86

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
SCHEMBL24824134 1.00 BCAT1 (0.86) BCAT1BCAT2
SCHEMBL24824016 0.93 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779304 0.93 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779281 0.91 BCAT1 (0.88) BCAT1BCAT2
SCHEMBL24825957 0.91 BCAT1 (0.88) BCAT1BCAT2
SCHEMBL24826900 0.91 BCAT1 (0.86) BCAT1BCAT2
SCHEMBL29779275 0.91 BCAT1 (0.86) BCAT1BCAT2
SCHEMBL24825942 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779316 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825975 0.89 BCAT1 (0.84) 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