SCHEMBL5140926

SCHEMBL5140926

COc1cccc(-c2cccc(CC3(c4cccc(OS(=O)(=O)C(C)C)c4)NC(=S)NC3=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
MDM2 Q00987 2/20 0.36
CA2 P00918 1/20 0.36
PGR P06401 1/20 0.34
DRD2 P14416 2/20 0.34
HTR1A P08908 1/20 0.34
CASR P41180 1/20 0.32
BACE1 P56817 7/20 0.32
CHEK1 O14757 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GLP1R P43220 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 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 0.90 CA2 (0.40) TP53MDM2CA2PGRDRD2
SCHEMBL5063661 0.87 TP53 (0.36) TP53MDM2CA2PGRDRD2
SCHEMBL5066447 0.86 MMP8 (0.32) TP53MDM2CA2ADAM17
SCHEMBL5067185 0.82 CA2 (0.42) TP53MDM2CA2PGRBACE1
SCHEMBL5067183 0.82 MAPT (0.38) TP53MDM2DRD2HTR1ABACE1
SCHEMBL5067260 0.80 CA2 (0.38) TP53MDM2CA2PGRBACE1
SCHEMBL4735173 0.75 CA2 (0.33) TP53MDM2CA2ADAM17
SCHEMBL5067169 0.74 MMP8 (0.33) TP53MDM2CA2ADAM17
SCHEMBL5140925 0.74 BACE1 (0.40) PGRBACE1CHEK1HDAC4HDAC8
SCHEMBL5066553 0.73 TP53 (0.32) TP53MDM2CA2

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