SCHEMBL2578631

SCHEMBL2578631

CN1C(=O)C2(N=C1N)c1cc(-c3cccc(OC(F)F)c3)ccc1Oc1ccc(-c3cccc(OC(F)F)c3)cc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.66
CTSD P07339 6/20 0.66
APP P05067 1/20 0.57
REN P00797 1/20 0.53
BACE2 Q9Y5Z0 1/20 0.53

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
SCHEMBL7712068 0.96 BACE1 (0.62) BACE1CTSDAPPRENBACE2
SCHEMBL2574225 0.94 BACE1 (0.68) BACE1CTSDAPPBACE2
SCHEMBL2575414 0.87 BACE1 (0.55) BACE1CTSDAPP
SCHEMBL7710820 0.84 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL7711348 0.82 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL12593028 0.81 BACE1 (0.67) BACE1CTSDAPP
SCHEMBL12593070 0.80 BACE1 (0.68) BACE1CTSD
SCHEMBL7711676 0.80 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL7711743 0.79 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL12592076 0.79 CTSD (1.00) BACE1CTSD

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed
WO-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed