SCHEMBL5066207

SCHEMBL5066207

CCCS(=O)(=O)Oc1cccc(C2(Cc3cccc(Br)c3)NC(=S)NC2=O)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
TP53 P04637 2/20 0.30
MDM2 Q00987 2/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL5067169 0.93 MMP8 (0.33) MMP8MMP14MAOBMAOATP53
SCHEMBL5066553 0.92 TP53 (0.32) MMP8MMP14MAOBMAOATP53
SCHEMBL5066597 0.91 MAOB (0.33) MMP14MAOBMAOAADAM17
SCHEMBL4735173 0.88 CA2 (0.33) MMP8MMP14MAOBMAOATP53
SCHEMBL4735347 0.87 ADAM17 (0.30) ADAM17
SCHEMBL5066447 0.86 MMP8 (0.32) MMP8MMP14MAOBMAOATP53
SCHEMBL5066481 0.83 MAOB (0.32) MAOBMAOA
SCHEMBL5066403 0.83 MAOA (0.32) MAOBMAOAADAM17
SCHEMBL5066554 0.79 L3MBTL1 (0.35) MAOBMAOATP53
SCHEMBL5066412 0.79 MAOB (0.35) MAOBMAOAADAM17

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