SCHEMBL2566485

SCHEMBL2566485

CC1(C)Cc2ccc(NCc3ccc(Br)cn3)cc2C2(CCSC(NC(=O)OC(C)(C)C)=N2)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.36
CTSD P07339 1/20 0.33
APP P05067 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
FPR3 P25089 2/20 0.30
FPR2 P25090 2/20 0.30
DGAT1 O75907 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
SCHEMBL450426 0.87 BACE1 (0.45) BACE1APP
SCHEMBL447140 0.85 BACE1 (0.45) BACE1CTSDFPR3FPR2
SCHEMBL2561886 0.84 BACE1 (0.36) BACE1CTSDAPPMAPKAPK2
SCHEMBL447872 0.79 BACE1 (0.50) BACE1APP
SCHEMBL449691 0.78 BACE1 (0.42) BACE1CTSD
SCHEMBL448287 0.76 BACE1 (0.49) BACE1APP
SCHEMBL445893 0.75 BACE1 (0.43) BACE1CTSDAPP
SCHEMBL2557900 0.74 BACE1 (0.36) BACE1CTSDAPP
SCHEMBL449162 0.71 BACE1 (0.46) BACE1CTSDAPP
SCHEMBL447947 0.71 BACE1 (0.61) BACE1CTSDAPP

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-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed