SCHEMBL19259730

SCHEMBL19259730

COc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CNC(=O)O)s2)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.71
LOX P28300 12/20 0.51
KCNH2 Q12809 2/20 0.51
AOC3 Q16853 2/20 0.51
LOXL3 P58215 1/20 0.51
MAOB P27338 1/20 0.43
MAOA P21397 1/20 0.40

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
SCHEMBL29970998 0.88 LOXL2 (0.64) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL28641800 0.88 LOXL2 (0.64) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL19259776 0.84 LOXL2 (0.71) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL19274848 0.83 LOXL2 (1.00) LOXL2LOXKCNH2AOC3LOXL3
Hydrochloric Acid SCHEMBL19260005 0.82 LOXL2 (1.00) LOXL2LOXKCNH2AOC3LOXL3
Hydrochloric Acid SCHEMBL28661275 0.77 LOXL2 (0.67) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL19259880 0.75 LOXL2 (0.40) LOXL2
SCHEMBL29971595 0.74 LOXL2 (0.62) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL28657448 0.74 LOXL2 (0.62) LOXL2LOXKCNH2AOC3LOXL3
SCHEMBL19259857 0.72 LOX (0.53) LOXL2LOXKCNH2AOC3LOXL3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416956-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER The Institute of Cancer Research : The Royal Cancer Hospital (GB) 2018-12-26 EP disclosed
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 WO disclosed