SCHEMBL18926396

SCHEMBL18926396

CC(C)(C)[S+]([O-])/N=C1\C2CC(C3CCCOC3)Oc3ccc(Br)cc3C12

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.40
APP P05067 5/20 0.40

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
SCHEMBL9948332 0.77 BACE1 (0.42) BACE1APP
SCHEMBL9948333 0.77 BACE1 (0.42) BACE1APP
SCHEMBL1824234 0.62 PBRM1 (0.52) BACE1APP
SCHEMBL3124444 0.62 PBRM1 (0.52) BACE1APP
SCHEMBL7968965 0.62 PBRM1 (0.52) BACE1APP
SCHEMBL16105864 0.62 PBRM1 (0.52) BACE1APP
SCHEMBL18289345 0.61 PBRM1 (0.33) BACE1APP
SCHEMBL9882194 0.60 PBRM1 (0.31)
SCHEMBL9931593 0.60 PBRM1 (0.31)
SCHEMBL9931594 0.60 PBRM1 (0.31)

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
EP-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 EP disclosed