SCHEMBL28649802

SCHEMBL28649802

CCNC(=O)c1cc(-c2cnn(C)c2)cc(S(=O)(=O)c2cnc(COC(N)=O)s2)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 20/20 0.80
AOC3 Q16853 3/20 0.54
LOXL3 P58215 2/20 0.54
KCNH2 Q12809 2/20 0.54
LOX P28300 1/20 0.54
MAOA P21397 1/20 0.53

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
SCHEMBL28652401 0.90 LOXL2 (0.81) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL19274348 0.89 LOXL2 (1.00) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL19259635 0.85 LOXL2 (0.81) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL29971026 0.83 LOXL2 (0.73) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL28663671 0.82 LOXL2 (0.75) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL19274661 0.79 LOXL2 (1.00) LOXL2AOC3LOXL3KCNH2LOX
Hydrochloric Acid SCHEMBL30772976 0.78 LOXL2 (0.78) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL28643953 0.78 LOXL2 (0.63) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL19260013 0.77 LOXL2 (0.80) LOXL2AOC3LOXL3KCNH2LOX
SCHEMBL29971321 0.77 LOXL2 (1.00) LOXL2AOC3LOXL3KCNH2LOX

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