Sugi Predict

Sugi Predict / Compounds / SCHEMBL3395833

SCHEMBL3395833

SCHEMBL3395833

CC(=O)c1ccc(OC(F)F)cc1C.Cc1cc(OC(F)F)ccc1C1(c2cccc(Br)c2)COC(N)=N1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.44
▸ CTSD P07339 10/20 0.44
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL2283866 0.92 BACE1 (0.49) BACE1CTSD
SCHEMBL2283872 0.92 BACE1 (0.49) BACE1CTSD
SCHEMBL3395335 0.88 BACE1 (0.46) BACE1CTSD
SCHEMBL3395835 0.84 BACE1 (0.44) BACE1CTSDKMT2A
SCHEMBL2284321 0.82 BACE1 (0.52) BACE1CTSD
SCHEMBL2284324 0.82 BACE1 (0.52) BACE1CTSD
SCHEMBL13825322 0.81 BACE1 (0.49) BACE1CTSD
SCHEMBL2281219 0.79 BACE1 (0.55) BACE1CTSDAPP
SCHEMBL2281215 0.79 BACE1 (0.55) BACE1CTSDAPP
SCHEMBL2280069 0.79 BACE1 (0.64) BACE1CTSDBACE2

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