SCHEMBL16735528

SCHEMBL16735528

CCOc1ccc2c(c1/C=N\O)OCO2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.54
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2186593 1.00 AOC3 (0.54) AOC3KMT2AMEN1HPGDTSHR
SCHEMBL2186590 1.00 AOC3 (0.54) AOC3KMT2AMEN1HPGDTSHR
SCHEMBL2213549 0.84 HPGD (0.52) AOC3KMT2AMEN1HPGDTSHR
SCHEMBL2213553 0.84 HPGD (0.52) AOC3KMT2AMEN1HPGDTSHR
SCHEMBL16735527 0.84 HPGD (0.52) AOC3KMT2AMEN1HPGDTSHR
SCHEMBL2211702 0.82 AOC3 (0.59) AOC3KMT2AMEN1HPGDTSHR
SCHEMBL12242140 0.76 NQO2 (0.38) AOC3KMT2AMEN1ALDH1A1RAB9A
SCHEMBL2188119 0.74 AOC3 (0.47) AOC3KMT2AMEN1ALDH1A1RAB9A
SCHEMBL16735529 0.74 AOC3 (0.47) AOC3KMT2AMEN1ALDH1A1RAB9A
SCHEMBL2188123 0.74 AOC3 (0.47) AOC3KMT2AMEN1ALDH1A1RAB9A

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