SCHEMBL28644342

SCHEMBL28644342

CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)c(S(C)(=O)=O)c2)s1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 12/20 0.63
LOX P28300 12/20 0.54
MAOA P21397 5/20 0.54
KCNH2 Q12809 3/20 0.44
LOXL3 P58215 1/20 0.42
AOC3 Q16853 1/20 0.42
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41

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
SCHEMBL19274424 0.84 LOX (0.50) LOXL2LOXMAOA
SCHEMBL19274258 0.83 LOX (0.42) LOXL2LOXMAOAKCNH2
SCHEMBL19274294 0.80 LOX (0.53) LOXL2LOXMAOA
SCHEMBL28641800 0.80 LOXL2 (0.64) LOXL2LOXMAOAKCNH2LOXL3
SCHEMBL29970998 0.80 LOXL2 (0.64) LOXL2LOXMAOAKCNH2LOXL3
SCHEMBL29971595 0.80 LOXL2 (0.62) LOXL2LOXMAOAKCNH2LOXL3
SCHEMBL28657448 0.80 LOXL2 (0.62) LOXL2LOXMAOAKCNH2LOXL3
SCHEMBL19259978 0.79 LOX (0.47) LOXL2LOXMAOA
SCHEMBL19274508 0.79 LOX (0.47) LOXL2LOXMAOA
SCHEMBL21016658 0.78 LOX (0.44) LOXL2LOXMAOA

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