SCHEMBL20056281

SCHEMBL20056281

COC(=O)Cc1ccc(-c2nnc(-c3cc(Cl)c([C@]4(C)C[S+]([O-])N(C)C(=N)N4)s3)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.57
BACE2 Q9Y5Z0 18/20 0.57

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
SCHEMBL20056226 0.86 BACE1 (0.52) BACE1BACE2
SCHEMBL17127320 0.84 BACE1 (0.70) BACE1BACE2
SCHEMBL20056278 0.84 BACE1 (0.51) BACE1BACE2
SCHEMBL20056568 0.84 BACE1 (0.53) BACE1BACE2
SCHEMBL20056572 0.83 BACE1 (0.50) BACE1BACE2
SCHEMBL20056457 0.81 BACE1 (0.52) BACE1BACE2
SCHEMBL20056276 0.81 BACE1 (0.54) BACE1BACE2
SCHEMBL20056210 0.79 BACE1 (0.57) BACE1BACE2
SCHEMBL20056448 0.79 BACE1 (0.55) BACE1BACE2
SCHEMBL20056555 0.79 BACE1 (0.53) 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-2908825-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed