SCHEMBL28638879

SCHEMBL28638879

CNc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3)c2)s1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOX P28300 6/20 0.75
MAOA P21397 1/20 0.75
CASP3 P42574 12/20 0.49
CASP7 P55210 11/20 0.49
LOXL2 Q9Y4K0 2/20 0.43
CASP2 P42575 2/20 0.43
CASP9 P55211 2/20 0.43
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43

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
SCHEMBL19259720 0.86 LOX (0.77) LOXMAOACASP3CASP7LOXL2
SCHEMBL19259710 0.86 LOX (0.77) LOXMAOACASP3CASP7LOXL2
SCHEMBL19259756 0.85 LOX (1.00) LOXMAOACASP3CASP7LOXL2
SCHEMBL19259758 0.85 LOX (1.00) LOXMAOACASP3CASP7LOXL2
SCHEMBL28644275 0.83 LOX (0.74) LOXMAOACASP3CASP7LOXL2
Hydrochloric Acid SCHEMBL28656808 0.75 LOXL2 (0.70) LOXMAOALOXL2
SCHEMBL19274289 0.73 LOX (0.79) LOXMAOALOXL2
SCHEMBL19274288 0.73 LOX (1.00) LOXMAOALOXL2
SCHEMBL19259965 0.72 LOX (0.57) LOXMAOACASP3CASP7CASP2
SCHEMBL19259964 0.72 LOX (0.57) LOXMAOACASP3CASP7CASP2

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