SCHEMBL16735532

SCHEMBL16735532

Cn1c(Sc2ccccc2)c(/C=N\O)c(=O)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.62
HPGD P15428 1/20 0.53
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2209686 1.00 AOC3 (0.62) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL2209693 1.00 AOC3 (0.62) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL2208445 0.82 MAPT (0.49) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL12280639 0.81 HPGD (0.47) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL16735533 0.77 AOC3 (1.00) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL2212219 0.77 AOC3 (1.00) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL2212215 0.77 AOC3 (1.00) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL2210492 0.74 AOC3 (0.78) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL16735540 0.74 AOC3 (0.78) AOC3HPGDALDH1A1KDM4EMEN1
SCHEMBL2210488 0.74 AOC3 (0.78) AOC3HPGDALDH1A1KDM4EMEN1

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
EP-2342179-B1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2015-05-27 EP claimed