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Sugi Predict / Compounds / SCHEMBL4783871

SCHEMBL4783871

SCHEMBL4783871

CN1C(=O)C(c2ccc(F)c(Br)c2)(c2ccc3c(c2)C(C)(C)CO3)N=C1N

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.51
▸ CTSD P07339 6/20 0.44
▸ BACE2 Q9Y5Z0 6/20 0.44
▸ APP P05067 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ REN P00797 1/20 0.42

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
SCHEMBL4739569 0.82 BACE1 (0.66) BACE1CTSDBACE2REN
SCHEMBL4734329 0.81 BACE1 (0.66) BACE1CTSDBACE2REN
SCHEMBL4738315 0.81 BACE1 (0.49) BACE1CTSDBACE2REN
SCHEMBL4786269 0.81 BACE1 (0.61) BACE1CTSDBACE2APPCYP3A4
SCHEMBL4737641 0.80 BACE1 (0.56) BACE1CTSDBACE2APPCYP3A4
SCHEMBL4735505 0.80 BACE1 (0.51) BACE1CTSDBACE2APPCYP3A4
SCHEMBL4784419 0.80 BACE1 (0.55) BACE1CTSDBACE2APPCYP3A4
SCHEMBL4785029 0.80 BACE1 (0.55) BACE1CTSDBACE2APPCYP3A4
SCHEMBL4784473 0.79 BACE1 (0.61) BACE1CTSDBACE2REN
SCHEMBL4855109 0.79 BACE1 (0.49) BACE1CTSDBACE2APPCYP3A4

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
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed