SCHEMBL882617

SCHEMBL882617

CN(C=O)/C(N)=N\C1c2cc(-c3cncc(Cl)c3)ccc2CC2CCOC[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.36
CTSD P07339 4/20 0.36
CYP2D6 P10635 3/20 0.35
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PTGES O14684 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL882893 0.76 BACE1 (0.36) BACE1CTSDCYP2D6MKNK1MKNK2
SCHEMBL10270522 0.73 BACE1 (0.36) BACE1CTSDCYP2D6MKNK1MKNK2
SCHEMBL10268804 0.71 BACE1 (0.34) BACE1CTSDCYP2D6MKNK1MKNK2
SCHEMBL7882031 0.70 BACE1 (0.44) BACE1APP
SCHEMBL7709563 0.69 MKNK1 (0.35) BACE1CTSDMKNK1MKNK2APP
SCHEMBL7711538 0.67 MKNK1 (0.33) BACE1MKNK1MKNK2PTGESAPP
SCHEMBL7705125 0.65 MKNK1 (0.32) BACE1MKNK1MKNK2PTGESAPP
SCHEMBL882648 0.64 BACE1 (0.35) BACE1CTSD
SCHEMBL882992 0.62 CTSD (0.31) BACE1CTSD
SCHEMBL891960 0.62 BACE1 (0.72) 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