SCHEMBL28652525

SCHEMBL28652525

CC(C)(C)OC(=O)NCc1ncc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2-c2ccccc2)s1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 17/20 0.66
MAOA P21397 2/20 0.44
LOXL3 P58215 1/20 0.44
KCNH2 Q12809 1/20 0.44
AOC3 Q16853 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
PDPK1 O15530 1/20 0.41
LOX P28300 1/20 0.40

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
SCHEMBL29971308 1.00 LOXL2 (0.66) LOXL2MAOALOXL3KCNH2AOC3
SCHEMBL28927295 0.93 LOXL2 (0.66) LOXL2MAOALOXL3KCNH2AOC3
SCHEMBL19259854 0.89 LOXL2 (0.73) LOXL2MAOALOXL3KCNH2AOC3
SCHEMBL29972056 0.85 LOXL2 (0.66) LOXL2MAOAKCNH2AOC3PDPK1
SCHEMBL29971096 0.81 LOXL2 (0.58) LOXL2MAOALOXL3KCNH2AOC3
SCHEMBL19259777 0.81 LOXL2 (0.73) LOXL2MAOALOXL3KCNH2AOC3
SCHEMBL29971316 0.80 LOXL2 (0.68) LOXL2LOXL3AOC3LOX
SCHEMBL19259830 0.80 LOXL2 (1.00) LOXL2MAOALOXL3KCNH2AOC3
SCHEMBL19274275 0.79 LOXL2 (0.65) LOXL2MAOALOXL3KCNH2AOC3
SCHEMBL28638854 0.79 LOXL2 (0.52) LOXL2MAOALOXL3KCNH2AOC3

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