SCHEMBL28645825

SCHEMBL28645825

Cn1cc(-c2cc(S(=O)(=O)c3cnc(COC(N)=O)s3)ccc2S(C)(=O)=O)cn1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 20/20 0.75
LOX P28300 2/20 0.61
AOC3 Q16853 3/20 0.52
LOXL3 P58215 2/20 0.52
KCNH2 Q12809 2/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL19259792 0.88 LOXL2 (0.77) LOXL2LOXAOC3LOXL3KCNH2
SCHEMBL19259667 0.86 LOXL2 (1.00) LOXL2LOXAOC3LOXL3KCNH2
SCHEMBL20983569 0.83 LOXL2 (0.74) LOXL2LOXAOC3LOXL3KCNH2
SCHEMBL29971316 0.81 LOXL2 (0.68) LOXL2LOXAOC3LOXL3
SCHEMBL28927244 0.78 LOXL2 (0.71) LOXL2LOXAOC3LOXL3KCNH2
SCHEMBL28663671 0.77 LOXL2 (0.75) LOXL2LOXAOC3LOXL3KCNH2
SCHEMBL19274721 0.76 LOXL2 (1.00) LOXL2LOXKCNH2MAOA
SCHEMBL28649802 0.75 LOXL2 (0.80) LOXL2LOXAOC3LOXL3KCNH2
SCHEMBL28652401 0.75 LOXL2 (0.81) LOXL2LOXAOC3LOXL3KCNH2
Hydrochloric Acid SCHEMBL19259689 0.75 LOXL2 (1.00) LOXL2LOXKCNH2MAOA

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