SCHEMBL4858017

SCHEMBL4858017

COc1cncc(-c2cccc(C3(c4cccc(OS(C)(=O)=O)c4)NC([AsH2])N(C)C3=O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.48
BACE2 Q9Y5Z0 5/20 0.48
CTSD P07339 2/20 0.45
CYP1A2 P05177 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 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
SCHEMBL4783296 0.80 BACE1 (0.46) BACE1BACE2CTSDCYP1A2CYP11B1
SCHEMBL4525852 0.79 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL4516614 0.74 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL4784977 0.73 BACE1 (0.70) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL5137186 0.72 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL4536230 0.70 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL4524188 0.70 BACE1 (0.66) BACE1BACE2CTSD
SCHEMBL4783683 0.70 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL4532523 0.70 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL4783816 0.70 BACE1 (0.68) BACE1BACE2CTSD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO claimed