SCHEMBL5067185

SCHEMBL5067185

COc1cccc(-c2cccc(CC3(c4ccc(OS(C)(=O)=O)cc4)NC(=S)NC3=O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
PGR P06401 1/20 0.36
TP53 P04637 2/20 0.34
MDM2 Q00987 2/20 0.34
BACE1 P56817 5/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ADAM17 P78536 1/20 0.33
CHEK1 O14757 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
GAA P10253 1/20 0.33
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL5069132 0.92 CA2 (0.40) CA2EDNRBEDNRAPGRTP53
SCHEMBL5067260 0.90 CA2 (0.38) CA2EDNRBEDNRAPGRTP53
SCHEMBL4734198 0.86 CA2 (0.39) CA2PGRADAM17
SCHEMBL5066412 0.84 MAOB (0.35) CA2ADAM17FFAR1
SCHEMBL5140926 0.82 TP53 (0.36) CA2PGRTP53MDM2BACE1
SCHEMBL5063661 0.82 TP53 (0.36) CA2EDNRBEDNRAPGRTP53
SCHEMBL5063559 0.78 CA2 (0.32) CA2BACE1
SCHEMBL5067183 0.78 MAPT (0.38) TP53MDM2BACE1CHEK1ALDH1A1
SCHEMBL4735173 0.77 CA2 (0.33) CA2TP53MDM2ADAM17
SCHEMBL4734993 0.77 CA2 (0.33) CA2ADAM17

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