SCHEMBL9987759

SCHEMBL9987759

CN(C)S(=O)(=O)N1CCCCCC1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.81
ALDH1A1 P00352 3/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 4/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3600256 1.00 GAA (0.81) GAAALDH1A1CA1CA2POLB
Hydrochloric Acid SCHEMBL27685977 0.97 GAA (0.77) GAAALDH1A1CA1CA2POLB
SCHEMBL3634814 0.97 GAA (0.85) GAAALDH1A1CA1CA2POLB
SCHEMBL3630393 0.97 GAA (0.85) GAAALDH1A1CA1CA2POLB
SCHEMBL15283000 0.92 GAA (0.95) GAAALDH1A1KMT2ATSHRMEN1
SCHEMBL11142722 0.86
SCHEMBL13902800 0.80 GAA (0.79) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL28551255 0.78 GAA (0.63) GAAALDH1A1KMT2ATSHRMEN1
SCHEMBL8978099 0.77 GAA (0.70) GAAALDH1A1POLBKMT2AMEN1
SCHEMBL1377365 0.77 GAA (0.62) GAAALDH1A1KMT2AMEN1HTT

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-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed