SCHEMBL28644435

SCHEMBL28644435

[N-]=[N+]=NCCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(COC(N)=O)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LOX P28300 20/20 0.71

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
SCHEMBL28657408 0.86 LOX (0.52) LOX
SCHEMBL28643852 0.85 LOX (0.59) LOX
SCHEMBL19274434 0.83 LOX (1.00) LOX
Hydrochloric Acid SCHEMBL19259602 0.82 LOX (0.98) LOX
SCHEMBL28657374 0.82 LOX (0.68) LOX
SCHEMBL28663650 0.82 LOX (0.57) LOX
SCHEMBL19259724 0.80 LOX (0.69) LOX
SCHEMBL28657525 0.79 LOX (0.71) LOX
SCHEMBL29970980 0.77 LOX (0.61) LOX
SCHEMBL28663727 0.76 LOX (0.47) LOX

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