SCHEMBL28656795

SCHEMBL28656795

Cn1cnc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3ccc(COC(N)=O)s3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.74
LOX P28300 14/20 0.50
KCNH2 Q12809 2/20 0.46
AOC3 Q16853 2/20 0.46
LOXL3 P58215 1/20 0.46
MAOB P27338 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL19274859 0.85 LOXL2 (1.00) LOXL2LOXKCNH2AOC3LOXL3
Hydrochloric Acid SCHEMBL19259885 0.84 LOXL2 (1.00) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL20983546 0.82 LOXL2 (0.72) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL28643824 0.82 LOXL2 (0.76) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL28646848 0.80 LOX (0.51) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL28639391 0.79 LOXL2 (0.65) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL29971550 0.79 LOXL2 (0.65) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL28638863 0.77 LOX (0.72) LOXL2LOXKCNH2AOC3LOXL3
Hydrochloric Acid SCHEMBL28651636 0.75 LOXL2 (0.69) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL28644255 0.74 LOXL2 (0.76) LOXL2

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-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed