SCHEMBL19255196

SCHEMBL19255196

COc1ccc(CN(Cc2ccc(OC)cc2)Sc2cccc(-c3c(C)n(C/C(F)=C/CNC(=O)OC(C)(C)C)c4ccc(C=O)cc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 16/20 0.41
▸ LOX P28300 2/20 0.34
▸ LOXL3 P58215 2/20 0.34
▸ LOXL1 Q08397 2/20 0.34
▸ LOXL4 Q96JB6 2/20 0.34
▸ DAO P14920 2/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ MARK4 Q96L34 1/20 0.32
▸ PLA2G2A P14555 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
SCHEMBL19255874 0.88 LOXL2 (0.40) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255174 0.85 LOXL2 (0.46) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255103 0.81 LOXL2 (0.40) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255414 0.79 LOXL2 (0.57) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255697 0.79 LOXL2 (0.40) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255225 0.78 LOXL2 (0.44) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255173 0.77 LOXL2 (0.58) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL20699607 0.77 LOXL2 (0.58) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255855 0.77 LOXL2 (0.43) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19255180 0.77 LOXL2 (0.41) LOXL2LOXLOXL3LOXL1LOXL4

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
WO-2017136870-A9 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 — — WO disclosed
WO-2017136870-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 — — WO disclosed
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