SCHEMBL19274337

SCHEMBL19274337

COc1cc(Br)cc(S(=O)(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 18/20 0.45
PDPK1 O15530 1/20 0.39

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
SCHEMBL29971556 1.00 LOXL2 (0.45) LOXL2PDPK1
SCHEMBL20983620 0.86 LOXL2 (0.53) LOXL2PDPK1
SCHEMBL28656801 0.82 LOXL2 (0.68) LOXL2
SCHEMBL29971060 0.82 LOXL2 (0.68) LOXL2
SCHEMBL28644197 0.82 LOXL2 (0.68) LOXL2
SCHEMBL29971180 0.82 LOXL2 (0.68) LOXL2
SCHEMBL29971266 0.81 LOXL2 (0.69) LOXL2
SCHEMBL29970925 0.80 LOXL2 (0.69) LOXL2
SCHEMBL29972126 0.80 LOXL2 (0.70) LOXL2
SCHEMBL29970984 0.80 PDPK1 (0.40) PDPK1

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
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