SCHEMBL15096211

SCHEMBL15096211

CN1c2ccccc2NC1NC(=O)c1cccc(C2(C)CCSC(N)=N2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53
APP P05067 1/20 0.45

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
SCHEMBL10155722 0.78 BACE1 (0.59) BACE1APP
SCHEMBL10154968 0.77 BACE1 (0.56) BACE1APP
SCHEMBL10156225 0.76 BACE1 (0.66) BACE1APP
SCHEMBL10154673 0.74 BACE1 (0.64) BACE1APP
SCHEMBL17635522 0.74 BACE1 (0.62) BACE1APP
SCHEMBL10154813 0.73 BACE1 (0.61) BACE1APP
SCHEMBL10155489 0.73 BACE1 (0.58) BACE1
SCHEMBL10157601 0.73 BACE1 (0.62) BACE1APP
SCHEMBL10156547 0.73 BACE1 (0.62) BACE1APP
SCHEMBL10154814 0.72 BACE1 (0.76) BACE1APP

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-2612854-A1 Aminothiazolidine and aminotetrahydrothiazepine derivatives as BACE 1 inhibitors Shionogi&Co., Ltd. (JP) 2013-07-10 EP disclosed