SCHEMBL5067182

SCHEMBL5067182

COc1cccc(-c2cccc(C3(c4cccc(OS(=O)(=O)N5CCOCC5)c4)C(=O)NC(=S)N3C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PRKDC P78527 1/20 0.38
CHEK1 O14757 1/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 2/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 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
SCHEMBL5066552 0.86 KMT2A (0.34) L3MBTL1LMNAKMT2AATMKDM4E
SCHEMBL5069130 0.85 BACE1 (0.42) BACE1CHEK1KCNH2BACE2GAA
SCHEMBL4524318 0.83 BACE1 (0.41) BACE1PRKDCCHEK1LMNAKCNH2
SCHEMBL5140925 0.82 BACE1 (0.40) BACE1CHEK1KCNH2BACE2GAA
SCHEMBL5063659 0.82 BACE1 (0.40) BACE1KCNH2KDM4EBACE2ALDH1A1
SCHEMBL5067184 0.80 BACE1 (0.39) BACE1CHEK1KCNH2BACE2GAA
SCHEMBL13711462 0.78 BACE1 (0.44) BACE1PRKDCCHEK1KCNH2BACE2
SCHEMBL5067183 0.77 MAPT (0.38) BACE1L3MBTL1PRKDCCHEK1LMNA
SCHEMBL5067256 0.76 BACE1 (0.39) BACE1KCNH2KDM4EBACE2ALDH1A1
Hydrochloric Acid SCHEMBL4532280 0.76 BACE1 (0.65) BACE1BACE2

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