SCHEMBL16472016

SCHEMBL16472016

CC1(c2cc(NC(=O)c3ccc(O)cc3)ccc2F)CCSC(N)=N1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.71
BACE2 Q9Y5Z0 6/20 0.71

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
SCHEMBL10154628 0.92 BACE1 (0.80) BACE1BACE2
SCHEMBL10155431 0.90 BACE1 (0.75) BACE1BACE2
SCHEMBL4075650 0.90 BACE1 (0.71) BACE1BACE2
SCHEMBL10156937 0.89 BACE1 (0.71) BACE1BACE2
SCHEMBL4077353 0.89 BACE1 (0.72) BACE1BACE2
SCHEMBL4080317 0.89 BACE1 (0.67) BACE1BACE2
SCHEMBL4079802 0.88 BACE1 (0.84) BACE1BACE2
SCHEMBL4080248 0.88 BACE1 (0.66) BACE1BACE2
SCHEMBL16472012 0.87 BACE1 (0.68) BACE1BACE2
SCHEMBL15508344 0.87 BACE1 (0.65) 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