SCHEMBL16735541

SCHEMBL16735541

COc1c(/C=N\O)c(=O)n(C)c(=O)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 1.00
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 3/20 0.42
CASP1 P29466 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL2189412 1.00 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2189408 1.00 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1444070 0.82 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1444067 0.82 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL16735539 0.82 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL16735525 0.80 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2210503 0.80 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2209210 0.78 AOC3 (0.64) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13447714 0.77 AOC3 (0.62) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3790927 0.77 AOC3 (0.62) AOC3KMT2AALDH1A1KDM4EHSD17B10

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