SCHEMBL5069197

SCHEMBL5069197

COc1cc(OS(C)(=O)=O)cc(-c2cccc(C3(c4ccccn4)C(=O)NC(=S)N3C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.40
BACE2 Q9Y5Z0 3/20 0.34
CTSD P07339 2/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2A7 P20853 1/20 0.33
CYP3A7 P24462 1/20 0.33
CYP2F1 P24903 1/20 0.33
CYP2C18 P33260 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2J2 P51589 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
SCHEMBL5069294 0.86 BACE1 (0.43) BACE1BACE2CTSDCYP1A1CYP1A2
SCHEMBL4520792 0.83 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL4734194 0.81 BACE1 (0.35) BACE1BACE2CTSDMAPT
SCHEMBL5063558 0.81 BACE1 (0.37) BACE1BACE2CTSDCYP1A1CYP1A2
SCHEMBL5069130 0.81 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL5067184 0.80 BACE1 (0.39) BACE1BACE2CTSD
SCHEMBL4519289 0.77 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL4520245 0.73 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL5063659 0.72 BACE1 (0.40) BACE1BACE2CTSDCYP3A4HPGD
SCHEMBL5140925 0.72 BACE1 (0.40) BACE1BACE2CTSD

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 disclosed
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 disclosed