SCHEMBL28645837

SCHEMBL28645837

CNc1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOX P28300 15/20 0.55
LOXL2 Q9Y4K0 6/20 0.55
ENPP2 Q13822 1/20 0.38
GAA P10253 1/20 0.36
LOXL3 P58215 1/20 0.36
KCNH2 Q12809 1/20 0.36
AOC3 Q16853 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL28651581 0.86 LOX (0.53) LOXLOXL2MAOA
SCHEMBL28643887 0.84 LOX (0.59) LOXLOXL2LOXL3KCNH2AOC3
SCHEMBL28643855 0.82 LOX (0.53) LOXLOXL2LOXL3KCNH2AOC3
SCHEMBL28644262 0.82 PKM (0.59) LOXGAA
Hydrochloric Acid SCHEMBL28644204 0.81 LOX (0.55) LOXLOXL2LOXL3KCNH2AOC3
SCHEMBL28644288 0.79 LOX (0.63) LOXLOXL2LOXL3KCNH2AOC3
SCHEMBL28657427 0.79 LOX (0.59) LOXLOXL2GAA
SCHEMBL28657105 0.78 LOXL2 (0.64) LOXLOXL2LOXL3KCNH2AOC3
SCHEMBL28657417 0.77 LOXL2 (0.65) LOXLOXL2LOXL3KCNH2AOC3
SCHEMBL28646901 0.76 LOXL2 (0.58) LOXLOXL2KCNH2AOC3MAOA

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