SCHEMBL29025841

SCHEMBL29025841

CN(C)C=Nc1ccc(-c2cc(OC(N)=O)nn2C(C)(C)C)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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 0.77 GAA (0.36) MAPT
SCHEMBL29025834 0.77 GAA (0.36) MAPT
SCHEMBL28957473 0.74 MEN1 (0.37) MAPTALDH1A1SMN1; SMN2
SCHEMBL28957470 0.74 MEN1 (0.37) MAPTALDH1A1SMN1; SMN2
SCHEMBL14191690 0.71 GAA (0.44) MAPTALDH1A1SMN1; SMN2
SCHEMBL4014542 0.71 GAA (0.44) MAPTALDH1A1SMN1; SMN2
SCHEMBL4014545 0.71 GAA (0.44) MAPTALDH1A1SMN1; SMN2
SCHEMBL6586149 0.68 GAA (0.40) MAPTALDH1A1SMN1; SMN2
SCHEMBL13811406 0.67 GAA (0.38) MAPTALDH1A1SMN1; SMN2
SCHEMBL20838802 0.66 MAPT (0.37) MAPTALDH1A1SMN1; SMN2

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
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