SCHEMBL28657644

SCHEMBL28657644

COc1cc(-c2cnn(C3CC3)c2)cc(S(=O)(=O)c2cnc(COC(N)=O)s2)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 20/20 0.78
AOC3 Q16853 2/20 0.46
LOXL3 P58215 1/20 0.46
MAOA P21397 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL19274474 0.88 LOXL2 (1.00) LOXL2AOC3LOXL3MAOAKCNH2
Hydrochloric Acid SCHEMBL19259575 0.87 LOXL2 (1.00) LOXL2AOC3LOXL3MAOAKCNH2
SCHEMBL28649546 0.86 LOXL2 (0.77) LOXL2AOC3LOXL3KCNH2
SCHEMBL28927231 0.85 LOXL2 (0.77) LOXL2AOC3LOXL3MAOAKCNH2
SCHEMBL20983578 0.85 LOXL2 (0.75) LOXL2
SCHEMBL28657124 0.82 LOXL2 (0.52) LOXL2LOXL3KCNH2
SCHEMBL29972126 0.81 LOXL2 (0.70) LOXL2
SCHEMBL28644255 0.81 LOXL2 (0.76) LOXL2
SCHEMBL19259919 0.78 LOXL2 (0.52) LOXL2
SCHEMBL19274613 0.76 LOXL2 (1.00) LOXL2AOC3LOXL3MAOAKCNH2

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