SCHEMBL28649669

SCHEMBL28649669

CN(C)C(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 19/20 0.69
LOX P28300 1/20 0.54
MAOA P21397 1/20 0.46
LOXL3 P58215 1/20 0.46
KCNH2 Q12809 1/20 0.46
AOC3 Q16853 1/20 0.46

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
SCHEMBL29971449 1.00 LOXL2 (0.69) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL19274275 0.91 LOXL2 (0.65) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL22542955 0.91 LOXL2 (0.57) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL19259856 0.89 LOXL2 (0.77) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL29971487 0.88 LOXL2 (0.72) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL28663633 0.88 LOXL2 (0.72) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL20983627 0.86 LOXL2 (0.52) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL29971408 0.86 LOXL2 (0.51) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL19274497 0.85 LOXL2 (0.53) LOXL2LOXMAOALOXL3KCNH2
SCHEMBL29971437 0.84 LOXL2 (0.58) LOXL2LOXMAOALOXL3KCNH2

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