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Sugi Predict / Compounds / SCHEMBL29779299

SCHEMBL29779299

SCHEMBL29779299

COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(-c2ccccc2)[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 9/20 0.72

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
SCHEMBL24824207 1.00 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24824858 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779230 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779278 0.89 BCAT1 (0.79) BCAT1BCAT2
SCHEMBL24823986 0.89 BCAT1 (0.79) BCAT1BCAT2
SCHEMBL24824150 0.86 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779256 0.86 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779257 0.86 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL23163265 0.86 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24826953 0.84 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