SCHEMBL16472012

SCHEMBL16472012

CC1(c2cc(NC(=O)c3ccc(O)cc3O)ccc2F)CCSC(N)=N1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.68
BACE2 Q9Y5Z0 6/20 0.68

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
SCHEMBL16472016 0.87 BACE1 (0.71) BACE1BACE2
SCHEMBL4079802 0.86 BACE1 (0.84) BACE1BACE2
SCHEMBL4080733 0.85 BACE1 (0.68) BACE1BACE2
SCHEMBL10155496 0.85 BACE1 (0.76) BACE1BACE2
SCHEMBL10194396 0.84 BACE1 (0.74) BACE1BACE2
SCHEMBL4082664 0.84 BACE1 (0.74) BACE1BACE2
SCHEMBL4075650 0.83 BACE1 (0.71) BACE1BACE2
SCHEMBL4082253 0.83 BACE1 (0.78) BACE1BACE2
SCHEMBL10194286 0.82 BACE1 (0.86) BACE1BACE2
SCHEMBL4081663 0.82 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-1942105-B1 AMINODIHYDROTHIAZINE DERIVATIVE SHIONOGI & CO (JP) 2014-04-16 EP disclosed