SCHEMBL5066554

SCHEMBL5066554

O=C1NC(=S)NC1(Cc1cccc(Br)c1)c1cccc(OS(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
PRKDC P78527 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.31
PTPN1 P18031 1/20 0.30
ATM Q13315 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL5066481 0.83 MAOB (0.32) MAOAMAOBALDH1A1HTT
SCHEMBL4735173 0.82 CA2 (0.33) TP53MAOAMAOB
SCHEMBL5067169 0.82 MMP8 (0.33) TP53MAOAMAOB
SCHEMBL5066447 0.80 MMP8 (0.32) TP53MAOAMAOB
SCHEMBL5066207 0.79 MMP8 (0.31) TP53MAOAMAOB
SCHEMBL5066553 0.79 TP53 (0.32) TP53MAOAMAOB
SCHEMBL5066552 0.75 KMT2A (0.34) L3MBTL1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4514746 0.74 CNR1 (0.35) L3MBTL1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL5066412 0.74 MAOB (0.35) MAOAMAOB
SCHEMBL5066597 0.71 MAOB (0.33) LMNAMAOAMAOB

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