SCHEMBL3634814

SCHEMBL3634814

CN(C)S(=O)(=O)N1CCCC1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.85
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MCOLN3 Q8TDD5 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
SCHEMBL3630393 1.00 GAA (0.85) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL3600256 0.97 GAA (0.81) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL9987759 0.97 GAA (0.81) GAAALDH1A1KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL27685977 0.95 GAA (0.77) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL15283000 0.94 GAA (0.95) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL11142722 0.88
SCHEMBL13902800 0.82 GAA (0.79) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL28551255 0.80 GAA (0.63) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL8978099 0.79 GAA (0.70) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL1377365 0.79 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed