SCHEMBL2574299

SCHEMBL2574299

CN1C(=O)C2(N=C1c1cccnc1F)c1ccccc1Oc1ccc(OCC(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
CTSD P07339 7/20 0.40
BACE2 Q9Y5Z0 6/20 0.40
KCNH2 Q12809 2/20 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
SCHEMBL7713684 0.83 BACE1 (0.64) BACE1CTSDBACE2KCNH2
SCHEMBL2574130 0.77 BACE1 (0.66) BACE1CTSDBACE2KCNH2
SCHEMBL2572112 0.74 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL2572115 0.74 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL7711604 0.73 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL2573768 0.72 BACE1 (0.54) BACE1CTSD
SCHEMBL2573986 0.72 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL7713041 0.71 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL8513094 0.71 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL7712093 0.70 BACE1 (0.65) 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