SCHEMBL29861340

SCHEMBL29861340

CC(=O)Oc1nccnc1CC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30748963 0.73 ALOX5 (0.35) KDM4EMAPT
SCHEMBL27473717 0.72 PRKCI (0.36) KDM4EMAPT
SCHEMBL2465458 0.70 PRKCI (0.33)
SCHEMBL29200838 0.70 MAPKAPK2 (0.36) HTT
SCHEMBL28018125 0.70 TNFSF11 (0.38) KDM4E
SCHEMBL27887045 0.70 LMNA (0.39) KDM4EMAPT
SCHEMBL28007567 0.70 LMNA (0.34) KDM4EMAPT
SCHEMBL23374468 0.68 HTT (0.34) HTT
SCHEMBL4944664 0.68 KDM4E (0.39) KDM4EMAPT
SCHEMBL27598250 0.68 LMNA (0.33) KDM4EMAPT

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
CN-114920731-A Alpha-acetoxypyrazine acetamide compound and preparation method and application thereof 山东大学 2022-08-19 CN claimed
CN-114920731-A Alpha-acetoxypyrazine acetamide compound and preparation method and application thereof 山东大学 2022-08-19 CN disclosed