SCHEMBL28663602

SCHEMBL28663602

NC(=O)OCc1ncc(Sc2ccc3ccccc3c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
LOXL2 Q9Y4K0 3/20 0.39
LOX P28300 1/20 0.39
KCNH2 Q12809 1/20 0.39
AOC3 Q16853 1/20 0.39
LOXL3 P58215 1/20 0.39
NTRK1 P04629 2/20 0.39
EPHX1 P07099 1/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL28657391 0.88 LOXL2 (0.43) SIRT2SIRT1SIRT3LOXL2LOXL3
SCHEMBL28644238 0.87 LOXL2 (0.41) SIRT1LOXL2LOXL3NTRK1LMNA
SCHEMBL28644286 0.82 LOXL2 (0.41) SIRT2SIRT1SIRT3LOXL2LOX
SCHEMBL28645865 0.81 LOXL2 (0.40) LOXL2LOXL3NTRK1LMNASMN1; SMN2
SCHEMBL28643885 0.81 LOXL3 (0.36) LOXL2LOXL3NTRK1NPC1LMNA
SCHEMBL28644194 0.81 LOXL2 (0.42) LOXL2LOXLOXL3NTRK1HTT
SCHEMBL28651627 0.81 SIRT2 (0.43) SIRT2SIRT1SIRT3LOXL2HTT
SCHEMBL28657397 0.80 LOXL2 (0.41) LOXL2LOXL3NTRK1HTTNPC1
SCHEMBL28651596 0.78 ALDH1A1 (0.42) LOXL2LOXL3LMNARAB9AKMT2A
SCHEMBL19259976 0.78 ABL1 (0.40) SIRT2SIRT1SIRT3LOXL2LOX

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
CN-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed