SCHEMBL28660935

SCHEMBL28660935

CNc1ccc(S(=O)(=O)c2cc(OC(C)C)cc(S(C)(=O)=O)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOX P28300 17/20 0.65
LOXL2 Q9Y4K0 7/20 0.40
KCNH2 Q12809 2/20 0.39
AOC3 Q16853 2/20 0.39
LOXL3 P58215 1/20 0.39
MAOB P27338 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL28652470 0.82 LOX (0.65) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28646851 0.82 LOX (0.67) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL21016340 0.82 LOX (0.72) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28643887 0.80 LOX (0.59) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL19260180 0.79 LOX (1.00) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28644288 0.78 LOX (0.63) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28657105 0.77 LOXL2 (0.64) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28645837 0.76 LOX (0.55) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28657417 0.76 LOXL2 (0.65) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28644248 0.75 LOX (0.65) LOXLOXL2KCNH2AOC3LOXL3

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