SCHEMBL28644248

SCHEMBL28644248

CNc1ccc(S(=O)(=O)c2cc(-c3ccc(F)cc3)cc(S(C)(=O)=O)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOX P28300 8/20 0.65
MAOA P21397 4/20 0.65
LOXL2 Q9Y4K0 15/20 0.56
KCNH2 Q12809 3/20 0.51
AOC3 Q16853 3/20 0.51
MAOB P27338 3/20 0.51
LOXL3 P58215 1/20 0.49

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
SCHEMBL28657417 0.89 LOXL2 (0.65) LOXMAOALOXL2KCNH2AOC3
SCHEMBL28657105 0.87 LOXL2 (0.64) LOXMAOALOXL2KCNH2AOC3
SCHEMBL28927270 0.81 LOXL2 (0.49) LOXMAOALOXL2KCNH2AOC3
SCHEMBL28927224 0.81 LOX (0.66) LOXMAOALOXL2KCNH2AOC3
SCHEMBL19259962 0.79 LOX (1.00) LOXMAOALOXL2KCNH2AOC3
Hydrochloric Acid SCHEMBL28638853 0.79 LOXL2 (0.68) LOXMAOALOXL2KCNH2
SCHEMBL28644288 0.78 LOX (0.63) LOXMAOALOXL2KCNH2AOC3
SCHEMBL28638918 0.78 LOX (0.69) LOXMAOALOXL2KCNH2AOC3
SCHEMBL28927255 0.77 LOX (0.53) LOXMAOALOXL2KCNH2AOC3
SCHEMBL28643887 0.77 LOX (0.59) LOXLOXL2KCNH2AOC3MAOB

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