SCHEMBL5136517

SCHEMBL5136517

NC1=NC(c2cc[c]cc2)(c2ccc(F)c(-c3ccc4c(c3)OCO4)c2)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.38
PTGS2 P35354 4/20 0.38
BACE2 Q9Y5Z0 3/20 0.38
PTGS1 P23219 2/20 0.38
APP P05067 2/20 0.37
CTSD P07339 2/20 0.34
MAPT P10636 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ADORA1 P30542 2/20 0.33
HTT P42858 2/20 0.33
ADORA2A P29274 1/20 0.33
DYRK3 O43781 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK1A Q13627 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
DYRK2 Q92630 1/20 0.33

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
SCHEMBL4532344 0.84 PTGS2 (0.40) BACE1PTGS2BACE2PTGS1APP
SCHEMBL4785710 0.80 BACE1 (0.40) BACE1BACE2APPCTSD
SCHEMBL4784370 0.78 APP (0.42) BACE1BACE2APPCTSD
SCHEMBL4527649 0.69 BACE1 (0.40) BACE1BACE2APPCTSD
SCHEMBL13437592 0.68 BACE1 (0.51) BACE1BACE2APPCTSD
SCHEMBL3535491 0.65 BACE1 (0.69) BACE1BACE2APPCTSD
SCHEMBL4522295 0.64 APP (0.42) BACE1BACE2APPCTSD
SCHEMBL4525448 0.64 APP (0.42) BACE1BACE2APPCTSD
SCHEMBL4528183 0.64 APP (0.42) BACE1BACE2APPCTSD
SCHEMBL4527752 0.64 APP (0.44) BACE1BACE2APPCTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979324-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-10-15 EP claimed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO claimed