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SCHEMBL29779387

SCHEMBL29779387

COc1cc(Cl)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O

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 15/20 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
SCHEMBL24825941 1.00 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825925 0.92 BCAT1 (0.85) BCAT1BCAT2
SCHEMBL29779237 0.92 BCAT1 (0.85) BCAT1BCAT2
SCHEMBL29779244 0.85 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24824104 0.85 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825909 0.84 BCAT1 (0.75) BCAT1BCAT2
SCHEMBL29779310 0.84 BCAT1 (0.75) BCAT1BCAT2
SCHEMBL24825997 0.84 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779264 0.84 BCAT1 (1.00) BCAT1BCAT2
Bay-069 SCHEMBL24823999 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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