SCHEMBL29025834

SCHEMBL29025834

CN(C)C=Nc1ccc(-c2cc(OC(N)=O)n[nH]2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.31

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
SCHEMBL22076882 1.00 GAA (0.36) GAAMAPT
SCHEMBL28957470 0.77 MEN1 (0.37) GAAMAPT
SCHEMBL28957473 0.77 MEN1 (0.37) GAAMAPT
SCHEMBL29025841 0.77 MAPT (0.33) MAPT
SCHEMBL29025844 0.76 RAB9A (0.35) GAA
SCHEMBL14191690 0.73 GAA (0.44) GAAMAPT
SCHEMBL4014545 0.73 GAA (0.44) GAAMAPT
SCHEMBL4014542 0.73 GAA (0.44) GAAMAPT
SCHEMBL6586149 0.71 GAA (0.40) GAAMAPT
SCHEMBL13811406 0.69 GAA (0.38) GAAMAPT

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-109422755-B Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2023-07-04 CN disclosed
CN-109422755-A A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2019-03-05 CN disclosed