SCHEMBL28639030

SCHEMBL28639030

CCS(=O)(=O)c1cc(C(C)(C)C)cc(S(=O)(=O)c2ccc(NC)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOX P28300 13/20 0.66
LOXL2 Q9Y4K0 6/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
KCNH2 Q12809 2/20 0.32
AOC3 Q16853 2/20 0.32
LOXL3 P58215 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL28644288 0.87 LOX (0.63) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28638920 0.84 LOX (0.65) LOXLOXL2ALDH1A1
SCHEMBL19259860 0.80 LOX (1.00) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL19274568 0.80 LOX (0.77) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL23314105 0.80 LOX (0.66) LOXLOXL2MEN1KMT2AALDH1A1
SCHEMBL29287837 0.75 LOX (0.60) LOXLOXL2MEN1KMT2AALDH1A1
SCHEMBL28652470 0.71 LOX (0.65) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28646851 0.71 LOX (0.67) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28927270 0.70 LOXL2 (0.49) LOXLOXL2KCNH2AOC3LOXL3
SCHEMBL28643887 0.70 LOX (0.59) LOXLOXL2MEN1KMT2AMAPT

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