SCHEMBL19255581

SCHEMBL19255581

CNC/C=C(\F)Cn1c(C)c(-c2cc(C)nc(C)c2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.42
▸ F2RL3 Q96RI0 2/20 0.42
▸ LOXL2 Q9Y4K0 14/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ F2R P25116 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DAO P14920 2/20 0.39
▸ AOC3 Q16853 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LOX P28300 1/20 0.38
▸ LOXL3 P58215 1/20 0.38
▸ LOXL1 Q08397 1/20 0.38
▸ LOXL4 Q96JB6 1/20 0.38

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
SCHEMBL19254634 0.89 LOXL2 (0.51) LOXL2DAOAOC3LOXLOXL3
Hydrochloric Acid SCHEMBL28565642 0.88 LOXL2 (0.52) RAD52LOXL2DAOAOC3LOX
SCHEMBL20699533 0.83 RAD52 (0.43) RAD52F2RL3LOXL2MAPTMEN1
SCHEMBL20699598 0.74 LOXL2 (0.62) LOXL2DAOAOC3LOXLOXL3
SCHEMBL20699601 0.74 LOXL2 (0.62) LOXL2DAOAOC3LOXLOXL3
Hydrochloric Acid SCHEMBL19211823 0.71 LOXL2 (0.73) LOXL2DAOAOC3LOXLOXL3
Hydrochloric Acid SCHEMBL20699614 0.70 LOXL2 (0.61) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255048 0.70 LOXL2 (0.42) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255571 0.70 LOXL2 (0.37) LOXL2DAOAOC3LOXLOXL3
SCHEMBL19255694 0.70 LOXL2 (0.71) 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
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