SCHEMBL29779295

SCHEMBL29779295

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 1.00
BCAT2 O15382 17/20 1.00

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
SCHEMBL29779290 1.00 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825923 1.00 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779281 0.94 BCAT1 (0.88) BCAT1BCAT2
SCHEMBL24825957 0.94 BCAT1 (0.88) BCAT1BCAT2
SCHEMBL29779220 0.91 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24824100 0.91 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24824845 0.91 BCAT1 (0.83) BCAT1BCAT2
SCHEMBL29779420 0.91 BCAT1 (0.83) BCAT1BCAT2
SCHEMBL24825605 0.91 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779260 0.91 BCAT1 (1.00) 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