SCHEMBL4798592

SCHEMBL4798592

CN1C(=O)C(c2ccc(O)cc2)(c2ccc(F)c(Br)c2)N=C1[AsH2]

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.44
CTSD P07339 10/20 0.39
BACE2 Q9Y5Z0 10/20 0.39
REN P00797 3/20 0.39
APP P05067 1/20 0.38
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.36
CNR1 P21554 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL4733764 0.87 BACE1 (0.60) BACE1CTSDBACE2RENAPP
SCHEMBL4785466 0.77 BACE1 (0.46) BACE1CTSDBACE2REN
SCHEMBL4242565 0.76 BACE1 (0.70) BACE1CTSDBACE2RENAPP
SCHEMBL4899108 0.75 BACE1 (0.41) BACE1CTSDBACE2RENAPP
SCHEMBL4109626 0.73 BACE1 (0.58) BACE1CTSDBACE2RENAPP
SCHEMBL2084875 0.71 BACE1 (0.43) BACE1BACE2CYP3A4GPR55
SCHEMBL13263906 0.71 BACE1 (0.58) BACE1CTSDBACE2RENAPP
SCHEMBL7886978 0.71 BACE1 (0.66) BACE1CTSDBACE2RENAPP
SCHEMBL4785029 0.71 BACE1 (0.55) BACE1CTSDBACE2RENAPP
SCHEMBL4784419 0.71 BACE1 (0.55) BACE1CTSDBACE2RENAPP

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 disclosed