SCHEMBL19254823

SCHEMBL19254823

CSc1cccc(-c2c(C)n(C/C(F)=C/CNC(=O)OC(C)(C)C)c3ccc(CO)nc23)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
LOXL2 Q9Y4K0 18/20 0.36
DAO P14920 2/20 0.32
AOC3 Q16853 2/20 0.32
LOX P28300 2/20 0.31
LOXL3 P58215 2/20 0.31
LOXL1 Q08397 2/20 0.31
LOXL4 Q96JB6 2/20 0.31

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
SCHEMBL19254820 0.87 LOXL2 (0.44) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255417 0.85 LOXL2 (0.54) LOXL2DAOAOC3LOXLOXL3
SCHEMBL20713705 0.81 LOXL2 (0.46) LOXL2DAOAOC3LOXLOXL3
SCHEMBL28556728 0.81 LOXL2 (0.46) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255418 0.78 LOXL2 (0.53) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19868648 0.77 LOXL2 (0.39) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255103 0.76 LOXL2 (0.40) LOXL2DAOAOC3LOXLOXL3
SCHEMBL20699563 0.76 LOXL2 (0.48) LOXL2DAOAOC3LOXLOXL3
SCHEMBL20699567 0.76 LOXL2 (0.48) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255237 0.75 LOXL2 (0.49) LOXL2DAOAOC3LOXLOXL3

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