SCHEMBL7709563

SCHEMBL7709563

CN(C=O)/C(N)=N\C1c2cc(F)ccc2Oc2ccc(-c3cncc(Cl)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
BACE1 P56817 4/20 0.33
APP P05067 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CTSD P07339 2/20 0.30
F2R P25116 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
SCHEMBL7706611 0.88 MKNK1 (0.39) MKNK1MKNK2BACE1CYP11B1CYP11B2
SCHEMBL7711538 0.86 MKNK1 (0.33) MKNK1MKNK2BACE1APP
SCHEMBL7708820 0.84 BACE1 (0.33) BACE1CYP11B1CYP11B2CTSD
SCHEMBL7705125 0.82 MKNK1 (0.32) MKNK1MKNK2BACE1APP
SCHEMBL7713517 0.77 CTSD (0.32) BACE1CTSD
SCHEMBL7715200 0.77 MKNK1 (0.37) MKNK1MKNK2BACE1CYP11B1CYP11B2
SCHEMBL7712995 0.76 BACE1 (0.41) BACE1CYP11B1CYP11B2CTSD
SCHEMBL7711537 0.74
SCHEMBL882893 0.74 BACE1 (0.36) MKNK1MKNK2BACE1APPCTSD
SCHEMBL7710613 0.72 CYP11B1 (0.38) MKNK1MKNK2BACE1CYP11B1CYP11B2

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