SCHEMBL20118914

SCHEMBL20118914

Cc1nc(C2=CC=CC(c3cc(F)c([C@]4(C)CS(=O)(=O)N(C)C(=N)N4)s3)C2)no1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.40
BACE2 Q9Y5Z0 6/20 0.40

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
SCHEMBL20118933 0.82 BACE1 (0.42) BACE1BACE2
SCHEMBL20118934 0.77 BACE1 (0.40) BACE1BACE2
SCHEMBL17149043 0.74 BACE1 (0.70) BACE1BACE2
SCHEMBL20118930 0.68 BACE1 (0.36) BACE1BACE2
SCHEMBL17149042 0.67 BACE1 (0.69) BACE1BACE2
SCHEMBL17149046 0.67 BACE1 (0.70) BACE1BACE2
SCHEMBL10329991 0.66 BACE1 (0.32) BACE1BACE2
SCHEMBL17127333 0.65 BACE1 (0.57) BACE1BACE2
SCHEMBL17149051 0.64 BACE1 (0.71) BACE1BACE2
SCHEMBL17149041 0.64 BACE1 (0.70) 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