SCHEMBL28646901

SCHEMBL28646901

CNc1ccc(S(=O)(=O)c2ccc3ccccc3c2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.58
LOX P28300 4/20 0.58
MAOA P21397 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.51
KCNH2 Q12809 1/20 0.48
AOC3 Q16853 1/20 0.48
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.41
C1S P09871 1/20 0.41
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28651581 0.83 LOX (0.53) LOXL2LOXMAOAMEN1KMT2A
SCHEMBL28641783 0.79 LOXL2 (0.58) LOXL2LOXMAOAL3MBTL1KCNH2
SCHEMBL28643887 0.78 LOX (0.59) LOXL2LOXKCNH2AOC3LMNA
Hydrochloric Acid SCHEMBL28644204 0.78 LOX (0.55) LOXL2LOXMAOAKCNH2AOC3
SCHEMBL1952494 0.77 LMNA (0.68) LOXL2LOXMAOAL3MBTL1LMNA
SCHEMBL28645837 0.76 LOX (0.55) LOXL2LOXMAOAKCNH2AOC3
SCHEMBL28644262 0.76 PKM (0.59) LOXPKM
SCHEMBL28646852 0.75 LOX (0.66) LOXL2LOXMAOAKCNH2AOC3
SCHEMBL19259736 0.75 LOXL2 (0.59) LOXL2LOXMAOAL3MBTL1KCNH2
SCHEMBL19259969 0.73 LOX (1.00) LOXL2LOXMAOAKCNH2AOC3

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