SCHEMBL20118930

SCHEMBL20118930

CN1C(=N)N[C@](C)(c2sc(C3C=CC=C(N4CCS(=O)(=O)CC4)C3)cc2Cl)CS1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL20118934 0.78 BACE1 (0.40) BACE1BACE2
SCHEMBL10329097 0.77 BACE1 (0.39) BACE1BACE2
SCHEMBL20118933 0.75 BACE1 (0.42) BACE1BACE2
SCHEMBL17149067 0.73 BACE1 (0.65) BACE1BACE2
SCHEMBL10329102 0.71 BACE1 (0.44) BACE1BACE2
SCHEMBL10329098 0.69 BACE1 (0.33) BACE1BACE2
SCHEMBL20119051 0.68 BACE1 (0.41) BACE1BACE2
SCHEMBL20118914 0.68 BACE1 (0.40) BACE1BACE2
SCHEMBL10329311 0.68 BACE1 (0.36) BACE1BACE2
SCHEMBL20119325 0.67 BACE1 (0.55) 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