SCHEMBL14980702

SCHEMBL14980702

CNc1ccc(F)c(C2(C)CCSC(N)=N2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.66
BACE2 Q9Y5Z0 6/20 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
SCHEMBL15451125 0.90 BACE1 (0.66) BACE1BACE2
SCHEMBL4082664 0.85 BACE1 (0.74) BACE1BACE2
SCHEMBL12521606 0.84 BACE1 (0.76) BACE1BACE2
SCHEMBL4073739 0.84 BACE1 (0.67) BACE1BACE2
SCHEMBL4073989 0.84 BACE1 (0.67) BACE1BACE2
SCHEMBL6524838 0.84 BACE1 (0.67) BACE1BACE2
SCHEMBL12521615 0.84 BACE1 (0.77) BACE1BACE2
SCHEMBL12521607 0.83 BACE1 (0.83) BACE1BACE2
SCHEMBL12521921 0.82 BACE1 (0.71) BACE1BACE2
SCHEMBL4077181 0.82 BACE1 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2612854-A1 Aminothiazolidine and aminotetrahydrothiazepine derivatives as BACE 1 inhibitors Shionogi&Co., Ltd. (JP) 2013-07-10 EP disclosed
EP-2597087-A1 Dihydrooxazine and tetrahydropyrimidine derivatives as BACE 1 inhibitors Shionogi&Co., Ltd. (JP) 2013-05-29 EP disclosed