SCHEMBL16735533

SCHEMBL16735533

CSc1c(/C=N\O)c(=O)n(C)c(=O)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 1.00
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 8/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 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
MAPK1 P28482 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
SCHEMBL2212215 1.00 AOC3 (1.00) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL2212219 1.00 AOC3 (1.00) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL2210492 0.82 AOC3 (0.78) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL2210488 0.82 AOC3 (0.78) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL16735540 0.82 AOC3 (0.78) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL2208796 0.80 AOC3 (1.00) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL16735536 0.80 AOC3 (1.00) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL2207915 0.78 AOC3 (0.64) AOC3L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL2209686 0.77 AOC3 (0.62) AOC3ALDH1A1MAPTKMT2AMEN1
SCHEMBL2209693 0.77 AOC3 (0.62) AOC3ALDH1A1MAPTKMT2AMEN1

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