SCHEMBL5067183

SCHEMBL5067183

COc1cccc(-c2cccc(CC3(c4cccc(OS(=O)(=O)N5CCOCC5)c4)NC(=S)NC3=O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
PRKDC P78527 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
BACE1 P56817 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHEK1 O14757 1/20 0.35
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35

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 0.84 CA2 (0.40) HTR1ADRD2BACE1CHEK1TP53
SCHEMBL5063661 0.82 TP53 (0.36) HTR1ADRD2BACE1ALDH1A1TP53
SCHEMBL5140926 0.82 TP53 (0.36) HTR1ADRD2BACE1CHEK1TP53
SCHEMBL5067185 0.78 CA2 (0.42) BACE1ALDH1A1CHEK1TP53MDM2
SCHEMBL5067182 0.77 BACE1 (0.40) PRKDCBACE1ALDH1A1CHEK1TP53
SCHEMBL4524318 0.77 BACE1 (0.41) MAPTPRKDCBACE1CHEK1KMT2A
SCHEMBL5067260 0.75 CA2 (0.38) BACE1ALDH1A1TP53MDM2KDM4E
SCHEMBL13711462 0.71 BACE1 (0.44) PRKDCBACE1CHEK1
SCHEMBL4735173 0.71 CA2 (0.33) TP53MDM2
SCHEMBL5067169 0.70 MMP8 (0.33) TP53MDM2

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 4 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
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