SCHEMBL16735536

SCHEMBL16735536

CCCSc1c(/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
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2208796 1.00 AOC3 (1.00) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2208800 1.00 AOC3 (1.00) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL16735540 0.88 AOC3 (0.78) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2210488 0.88 AOC3 (0.78) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2210492 0.88 AOC3 (0.78) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2208838 0.81 AOC3 (0.68) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL12280657 0.80 AOC3 (0.67) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL16735533 0.80 AOC3 (1.00) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2212219 0.80 AOC3 (1.00) AOC3ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2212215 0.80 AOC3 (1.00) AOC3ALDH1A1MAPTKDM4ECYP1A2

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