SCHEMBL11055841

SCHEMBL11055841

CN(C)S(=O)(=O)N1CCN(N)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MAPT P10636 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
SCHEMBL11142722 0.87
SCHEMBL8978099 0.78 GAA (0.70) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL15283000 0.77 GAA (0.95) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL3634814 0.77 GAA (0.85) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL3630393 0.77 GAA (0.85) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL3600256 0.75 GAA (0.81) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL9987759 0.75 GAA (0.81) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL1377365 0.73 GAA (0.62) GAAMEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL27685977 0.73 GAA (0.77) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL8258944 0.73 GAA (0.61) GAAMEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO disclosed
US-4452797-A FOR CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
EP-0023343-B1 SUBSTITUTED 3-AMINO-SYDNONIMINES, PROCESS FOR THEIR SYNTHESIS AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CASSELLA Aktiengesellschaft (DE) 1984-03-28 EP disclosed
US-4332801-A HYPOTENSIVE; CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-4305939-A HYPOTENSIVE CASSELLA AG (DE) 1981-12-15 US disclosed
EP-0023343-A2 Substituted 3-amino-sydnonimines, process for their synthesis and pharmaceutical preparations containing them CASSELLA Aktiengesellschaft (DE) 1981-02-04 EP disclosed