SCHEMBL20119121

SCHEMBL20119121

CN1C(=N)N[C@](C)(c2sc(-c3ccc(F)c(-c4nnco4)c3)cc2Cl)C[S+]1[O-]

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.54
BACE2 Q9Y5Z0 15/20 0.54

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
SCHEMBL20118908 0.87 BACE1 (0.52) BACE1BACE2
SCHEMBL20119129 0.86 BACE1 (0.54) BACE1BACE2
SCHEMBL20119528 0.84 BACE1 (0.43) BACE1BACE2
SCHEMBL20119077 0.84 BACE1 (0.55) BACE1BACE2
SCHEMBL17149034 0.82 BACE1 (0.69) BACE1BACE2
SCHEMBL20056457 0.80 BACE1 (0.52) BACE1BACE2
SCHEMBL20056278 0.78 BACE1 (0.51) BACE1BACE2
SCHEMBL20119140 0.77 BACE1 (0.51) BACE1BACE2
SCHEMBL17149031 0.76 BACE1 (0.69) BACE1BACE2
SCHEMBL20119075 0.76 BACE1 (0.52) 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