SCHEMBL10270522

SCHEMBL10270522

COC1CCC2C(C1)Oc1ccc(-c3cncc(Cl)c3)cc1C2/N=C(/N)N(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.36
APP P05067 6/20 0.36
CTSD P07339 3/20 0.34
CYP2D6 P10635 3/20 0.33
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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 0.89 BACE1 (0.36) BACE1APPCTSDCYP2D6MKNK1
SCHEMBL10268804 0.86 BACE1 (0.34) BACE1APPCTSDCYP2D6MKNK1
SCHEMBL10266039 0.83 BACE1 (0.35) BACE1APPCTSDCYP2D6MKNK1
SCHEMBL882648 0.81 BACE1 (0.35) BACE1CTSD
SCHEMBL882988 0.81 BACE1 (0.32) BACE1CTSD
SCHEMBL882992 0.79 CTSD (0.31) BACE1CTSD
SCHEMBL882991 0.77 BACE1 (0.33) BACE1CTSD
SCHEMBL10265452 0.76 BACE1 (0.34) BACE1CTSD
SCHEMBL10266487 0.76 BACE1 (0.35) BACE1CTSD
SCHEMBL10266405 0.73 BACE1 (0.32) 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