SCHEMBL2576404

SCHEMBL2576404

CN1C(=O)C2(N=C1c1cccc(Cl)c1)c1ccccc1Oc1ccc(OC(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.44
CTSD P07339 8/20 0.40
BACE2 Q9Y5Z0 6/20 0.40
ABL1 P00519 4/20 0.39

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
SCHEMBL7711743 0.84 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL2577973 0.79 BACE1 (0.48) BACE1CTSD
SCHEMBL2574031 0.74 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL2574669 0.74 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL2576401 0.72 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL2573158 0.70 BACE1 (0.67) BACE1CTSD
SCHEMBL2574299 0.70 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL7715225 0.69 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL2570745 0.69 BACE1 (0.42) BACE1CTSD
SCHEMBL7713018 0.68 BACE1 (0.71) 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 1 patent. 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