SCHEMBL877928

SCHEMBL877928

CN1C(=O)C2(N=C1N)c1cc(Br)ccc1OC1CC(=O)CCC12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.70
CTSD P07339 14/20 0.70

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
SCHEMBL875669 0.87 BACE1 (0.77) BACE1CTSD
SCHEMBL892189 0.83 BACE1 (0.69) BACE1CTSD
SCHEMBL878318 0.83 BACE1 (0.69) BACE1CTSD
SCHEMBL891683 0.83 BACE1 (0.69) BACE1CTSD
SCHEMBL892443 0.83 BACE1 (0.69) BACE1CTSD
SCHEMBL877769 0.83 BACE1 (0.68) BACE1CTSD
SCHEMBL892147 0.82 BACE1 (1.00) BACE1CTSD
SCHEMBL897348 0.82 BACE1 (1.00) BACE1CTSD
SCHEMBL10209628 0.82 BACE1 (1.00) BACE1CTSD
SCHEMBL10266282 0.82 BACE1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 WO disclosed