SCHEMBL28657408

SCHEMBL28657408

[N-]=[N+]=NCCCSc1ccc(S(=O)(=O)c2ccc(COC(N)=O)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LOX P28300 16/20 0.52
LOXL2 Q9Y4K0 4/20 0.36
CA2 P00918 3/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL28644435 0.86 LOX (0.71) LOX
SCHEMBL28652319 0.85 CA2 (0.50) LOXLOXL2CA2MAOA
SCHEMBL19259607 0.82 LOX (0.49) LOXLOXL2CA2MAOA
SCHEMBL28657398 0.79 LOX (0.50) LOXLOXL2CA2MAOA
SCHEMBL19274437 0.79 LOX (0.44) LOXLOXL2CA2
SCHEMBL28663727 0.74 LOX (0.47) LOXLOXL2MAOA
SCHEMBL28643852 0.72 LOX (0.59) LOXLOXL2
SCHEMBL19259610 0.72 LOX (0.38) LOXLOXL2CA2MAOA
SCHEMBL28657374 0.72 LOX (0.68) LOXLOXL2CA2
SCHEMBL28663650 0.72 LOX (0.57) LOXLOXL2

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