SCHEMBL29577872

SCHEMBL29577872

CN(C)C=Nc1cc(OCCCl)c(OCCCl)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5042203 0.95 MAOB (0.34) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL5042200 0.95 MAOB (0.34) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL29577679 0.95 MAOB (0.39) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL13749945 0.90 MAOB (0.36) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL3489331 0.90 MAOB (0.36) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL3489329 0.90 MAOB (0.36) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL4299787 0.89 MAOB (0.36) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL4299790 0.89 MAOB (0.36) GAAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL482255 0.86 GAA (0.37) GAAMAOBMAPTALDH1A1
SCHEMBL29986851 0.86 GAA (0.37) GAAMAOBMAPTALDH1A1

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-108069913-B Bis (morpholinylalkoxy) quinazoline derivative and application thereof in anti-tumor aspect 陕西师范大学 2022-03-01 CN disclosed