SCHEMBL7705399

SCHEMBL7705399

COc1ccc2c(c1C)Oc1ccc(-c3cccnc3F)cc1C2/N=C(/N)N(C)C=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.35
CTSD P07339 2/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
SCN9A Q15858 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL7709564 0.85 MKNK1 (0.41) BACE1CTSDBACE2
SCHEMBL7705409 0.85 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL7705408 0.84 BACE1 (0.35) BACE1CTSD
SCHEMBL7711197 0.81 MKNK1 (0.37) BACE1CTSD
SCHEMBL10266284 0.69 BACE1 (0.38) BACE1CTSD
SCHEMBL7713121 0.68 BACE1 (0.38) BACE1CTSDBACE2SCN9A
SCHEMBL10266269 0.68 BACE1 (0.37) BACE1CTSD
SCHEMBL7713517 0.67 CTSD (0.32) BACE1CTSD
SCHEMBL7708820 0.67 BACE1 (0.33) BACE1CTSDBACE2
SCHEMBL7708344 0.66 ERN1 (0.32) BACE1

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