SCHEMBL5140301

SCHEMBL5140301

CN1C(=O)C(c2cccc(Br)c2)(c2c[nH]c(C#N)c2)N=C1[AsH2]

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.43
BACE2 Q9Y5Z0 8/20 0.38
CTSD P07339 4/20 0.38
REN P00797 1/20 0.34
APP P05067 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
SCHEMBL3582740 0.88 BACE1 (0.57) BACE1BACE2CTSDRENAPP
SCHEMBL3574077 0.70 BACE1 (0.58) BACE1BACE2CTSDRENAPP
SCHEMBL3580984 0.70 BACE1 (0.51) BACE1BACE2CTSDRENAPP
SCHEMBL3583507 0.69 BACE1 (0.50) BACE1BACE2CTSDRENAPP
SCHEMBL5139355 0.69 BACE1 (0.51) BACE1BACE2CTSDRENAPP
SCHEMBL3576718 0.67 BACE1 (0.49) BACE1BACE2CTSDRENAPP
SCHEMBL4109037 0.67 BACE1 (0.76) BACE1BACE2CTSDRENAPP
SCHEMBL3577724 0.67 BACE1 (0.53) BACE1BACE2CTSDRENAPP
SCHEMBL3580965 0.66 BACE1 (0.53) BACE1BACE2CTSDRENAPP
SCHEMBL5135046 0.66 BACE1 (0.60) BACE1BACE2CTSDRENAPP

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-1896454-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR -SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-03-12 EP disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed