SCHEMBL20118933

SCHEMBL20118933

CN1C(=N)N[C@](C)(c2sc(C3C=CC=C(c4noc(C5CC5)n4)C3)cc2Cl)CS1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.42
BACE2 Q9Y5Z0 10/20 0.42

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
SCHEMBL20118914 0.82 BACE1 (0.40) BACE1BACE2
SCHEMBL20118934 0.80 BACE1 (0.40) BACE1BACE2
SCHEMBL10329097 0.78 BACE1 (0.39) BACE1BACE2
SCHEMBL17149045 0.77 BACE1 (0.69) BACE1BACE2
SCHEMBL20118930 0.75 BACE1 (0.36) BACE1BACE2
SCHEMBL17127283 0.73 BACE1 (0.65) BACE1BACE2
SCHEMBL17149046 0.70 BACE1 (0.70) BACE1BACE2
SCHEMBL17149062 0.68 BACE1 (0.68) BACE1BACE2
SCHEMBL17127247 0.68 BACE1 (0.69) BACE1BACE2
SCHEMBL17149018 0.68 BACE1 (0.69) BACE1BACE2

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-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed