SCHEMBL20118943

SCHEMBL20118943

Cc1nnc(-c2cccc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)N4)s3)c2)o1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
BACE2 Q9Y5Z0 17/20 0.64

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
SCHEMBL17149016 0.82 BACE1 (0.67) BACE1BACE2
SCHEMBL20056230 0.79 BACE1 (0.63) BACE1BACE2
SCHEMBL20118944 0.75 BACE1 (0.65) BACE1BACE2
SCHEMBL17149018 0.74 BACE1 (0.69) BACE1BACE2
SCHEMBL17149017 0.73 BACE1 (0.68) BACE1BACE2
SCHEMBL20119075 0.72 BACE1 (0.52) BACE1BACE2
SCHEMBL18567539 0.71 BACE1 (0.64) BACE1BACE2
SCHEMBL20056261 0.70 BACE1 (0.54) BACE1BACE2
SCHEMBL18567825 0.70 BACE1 (0.61) BACE1BACE2
SCHEMBL17149004 0.69 BACE1 (0.67) 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