SCHEMBL5135019

SCHEMBL5135019

COc1cc(OS(C)(=O)=O)cc(-c2cc(C3(c4ccc(OS(C)(=O)=O)cc4)NC(N)NC3=O)ccc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL4856339 0.81 ALDH1A1 (0.31)
SCHEMBL4520219 0.77 BACE1 (0.45) BACE1
Hydrochloric Acid SCHEMBL4785825 0.73 BACE1 (0.36) BACE1
SCHEMBL4928167 0.68 BACE1 (0.39) BACE1
SCHEMBL4783919 0.67 BACE1 (0.63) BACE1
SCHEMBL8197070 0.66 BACE1 (0.61) BACE1
SCHEMBL4532322 0.66 APP (0.46) BACE1
SCHEMBL8199166 0.66 BACE1 (0.60) BACE1
Hydrochloric Acid SCHEMBL4919314 0.66 BACE1 (0.60) BACE1
Hydrochloric Acid SCHEMBL4786407 0.65 BACE1 (0.59) BACE1

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 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