SCHEMBL5067256

SCHEMBL5067256

COc1cccc(-c2cccc(C3(c4ccc(OS(=O)(=O)C(F)(F)F)cc4)C(=O)NC(=S)N3C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.39
KCNH2 Q12809 1/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
CTSD P07339 1/20 0.36
BRD4 O60885 2/20 0.35
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
PSMB5 P28074 1/20 0.34

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
SCHEMBL5063659 0.94 BACE1 (0.40) BACE1KCNH2BACE2CTSDBRD4
SCHEMBL5067184 0.90 BACE1 (0.39) BACE1KCNH2BACE2CTSDBRD4
SCHEMBL5069130 0.84 BACE1 (0.42) BACE1KCNH2BACE2CTSDBRD4
SCHEMBL5140925 0.81 BACE1 (0.40) BACE1KCNH2BACE2CTSDBRD4
SCHEMBL4520321 0.80 BACE1 (0.43) BACE1KCNH2BACE2CTSDKDM4E
SCHEMBL4734194 0.79 BACE1 (0.35) BACE1BACE2CTSDBRD4PGR
SCHEMBL5069294 0.77 BACE1 (0.43) BACE1KCNH2BACE2CTSDCYP3A4
SCHEMBL5067182 0.76 BACE1 (0.40) BACE1KCNH2BACE2KDM4EALDH1A1
SCHEMBL4511621 0.76 BACE1 (0.44) BACE1KCNH2BACE2CTSDBRD4
SCHEMBL5066407 0.74 MMP2 (0.34) KDM4EALDH1A1GAAHPGD

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 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