SCHEMBL19255700

SCHEMBL19255700

COc1cc(-c2c(C)n(C/C(F)=C/CNCl)c3ccc(S(C)(=O)=O)cc23)ccn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 19/20 0.52
DAO P14920 2/20 0.41
AOC3 Q16853 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LOX P28300 2/20 0.40
LOXL3 P58215 2/20 0.40
LOXL1 Q08397 2/20 0.40
LOXL4 Q96JB6 2/20 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
SCHEMBL19254632 0.91 LOXL2 (0.63) LOXL2DAOAOC3LOXLOXL3
Hydrochloric Acid SCHEMBL20699589 0.90 LOXL2 (0.64) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19254745 0.79 LOXL2 (0.70) LOXL2DAOAOC3LOXLOXL3
Hydrochloric Acid SCHEMBL20699696 0.79 LOXL2 (0.70) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255065 0.79 LOXL2 (0.82) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255856 0.78 LOXL2 (0.50) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255033 0.77 LOXL2 (0.69) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255851 0.77 LOXL2 (0.50) LOXL2DAOAOC3LOXLOXL3
Hydrochloric Acid SCHEMBL28913636 0.77 LOXL2 (0.70) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255572 0.76 LOXL2 (0.56) LOXL2DAOAOC3PTGDR2LOX

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-2017136870-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 WO disclosed