SCHEMBL29779237

SCHEMBL29779237

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

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.85
BCAT2 O15382 15/20 0.85

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
SCHEMBL24825925 1.00 BCAT1 (0.85) BCAT1BCAT2
SCHEMBL29779387 0.92 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825941 0.92 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779221 0.88 BCAT1 (0.81) BCAT1BCAT2
SCHEMBL24824010 0.88 BCAT1 (0.81) BCAT1BCAT2
SCHEMBL24825601 0.81 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL29779296 0.81 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL24825603 0.80 BCAT1 (0.76) BCAT1BCAT2
SCHEMBL7017337 0.79 BCAT1 (0.67) BCAT1BCAT2
SCHEMBL10576815 0.79 BCAT1 (0.78) 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