SCHEMBL2929941

SCHEMBL2929941

Nc1ccc(F)c(C23CCOC(CF)C2CSC(NC(=O)O)=N3)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.39
BACE2 Q9Y5Z0 13/20 0.39
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2929943 1.00 BACE1 (0.39) BACE1BACE2KCNH2
SCHEMBL3773683 0.92 BACE1 (0.46) BACE1BACE2KCNH2
SCHEMBL2619967 0.87 BACE1 (0.38) BACE1BACE2KCNH2
SCHEMBL16966343 0.87 BACE1 (0.46) BACE1BACE2KCNH2
SCHEMBL3774893 0.87 BACE1 (0.46) BACE1BACE2KCNH2
SCHEMBL2932708 0.84 BACE1 (0.42) BACE1BACE2KCNH2
SCHEMBL2932704 0.84 BACE1 (0.42) BACE1BACE2KCNH2
SCHEMBL2932020 0.81 BACE1 (0.41) BACE1BACE2KCNH2
SCHEMBL15818093 0.81 BACE1 (0.39) BACE1BACE2KCNH2
SCHEMBL2932512 0.80 BACE1 (0.45) BACE1BACE2KCNH2

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-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed