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Sugi Predict / Compounds / SCHEMBL3391476

SCHEMBL3391476

SCHEMBL3391476

COc1ccc(C2(c3cc(Br)cc(OCC(F)(F)F)c3)COC(N)=N2)cc1C.N#Cc1cc(Br)cc(OCC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.37
▸ KCNH2 Q12809 5/20 0.37
▸ CTSD P07339 4/20 0.36
▸ MGAT2 Q10469 1/20 0.33
▸ AMD1 P17707 1/20 0.32
▸ BACE2 Q9Y5Z0 2/20 0.31

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
SCHEMBL2277203 0.93 BACE1 (0.40) BACE1KCNH2CTSDAMD1
SCHEMBL2277206 0.93 BACE1 (0.40) BACE1KCNH2CTSDAMD1
SCHEMBL3393593 0.88 BACE1 (0.35) BACE1KCNH2CTSDBACE2
SCHEMBL13761170 0.83 BACE1 (0.42) BACE1KCNH2CTSD
SCHEMBL2285394 0.82 BACE1 (0.41) BACE1CTSD
SCHEMBL2285384 0.82 BACE1 (0.41) BACE1CTSD
SCHEMBL2284332 0.81 BACE1 (0.39) BACE1KCNH2CTSDBACE2
SCHEMBL2284328 0.81 BACE1 (0.39) BACE1KCNH2CTSDBACE2
SCHEMBL2287937 0.78 BACE1 (0.39) BACE1KCNH2CTSDAMD1BACE2
SCHEMBL2287944 0.78 BACE1 (0.39) BACE1KCNH2CTSDAMD1BACE2

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 — — EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed