SCHEMBL3851579

SCHEMBL3851579

CCC(=O)N(C(=O)O)C(=O)Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
KCND3 Q9UK17 1/20 0.47
ITGB3 P05106 5/20 0.39
ITGAV P06756 5/20 0.39
ITGA2B P08514 3/20 0.39
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL3851571 0.85 KCNA5 (0.48) KCNA5KCNE1KCNQ1KCND3ITGB3
SCHEMBL3886897 0.82 KCNA5 (0.54) KCNA5KCNE1KCNQ1KCND3ITGB3
SCHEMBL1377525 0.80 KCNE1 (0.51) KCNA5KCNE1KCNQ1KCND3ITGB3
SCHEMBL1380823 0.79 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3ITGB3
SCHEMBL1379149 0.77 KCNE1 (0.55) KCNA5KCNE1KCNQ1KCND3ALDH1A1
SCHEMBL13716162 0.76 KCNE1 (0.48) KCNA5KCNE1KCNQ1KCND3ITGB3
SCHEMBL3885685 0.76 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3ITGB3
SCHEMBL1383486 0.75 TSHR (0.51) KCNA5KCNE1KCNQ1KCND3MAPT
SCHEMBL1378308 0.73 KCNE1 (0.51) KCNA5KCNE1KCNQ1KCND3
SCHEMBL3813504 0.73 KCNE1 (0.48) KCNA5KCNE1KCNQ1KCND3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed