SCHEMBL28657448

SCHEMBL28657448

CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CNC(=O)OC(C)(C)C)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 12/20 0.62
KCNH2 Q12809 3/20 0.47
AOC3 Q16853 3/20 0.47
LOXL3 P58215 2/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 2/20 0.47
LOX P28300 7/20 0.46
HDAC1 Q13547 1/20 0.40
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL29971595 1.00 LOXL2 (0.62) LOXL2KCNH2AOC3LOXL3MAOB
SCHEMBL19259776 0.87 LOXL2 (0.71) LOXL2KCNH2AOC3LOXL3MAOB
SCHEMBL29970998 0.87 LOXL2 (0.64) LOXL2KCNH2AOC3LOXL3MAOA
SCHEMBL28641800 0.87 LOXL2 (0.64) LOXL2KCNH2AOC3LOXL3MAOA
SCHEMBL19274424 0.84 LOX (0.50) LOXL2MAOALOXCA12CA1
SCHEMBL28644342 0.80 LOXL2 (0.63) LOXL2KCNH2AOC3LOXL3MAOA
SCHEMBL21016658 0.80 LOX (0.44) LOXL2MAOALOXCA12CA1
SCHEMBL30699853 0.79 LOXL2 (0.48) LOXL2KCNH2AOC3LOXL3MAOB
SCHEMBL19274856 0.78 HDAC1 (0.41) LOXL2HDAC1CTSBCTSSCTSK
SCHEMBL19274294 0.77 LOX (0.53) LOXL2MAOALOXCA1

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