SCHEMBL3377131

SCHEMBL3377131

NS(=O)(=O)N(Cl)CCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SLC6A6 P31641 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
APP P05067 1/20 0.37
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 1/20 0.32
NT5E P21589 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL1070054 0.74
Ammonia Solution, Strong SCHEMBL20996042 0.72 PTGS1 (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL20893615 0.70
SCHEMBL3379124 0.70
SCHEMBL27705320 0.70
Taurine SCHEMBL5070478 0.70 LMNA (0.64) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL14578111 0.69
SCHEMBL10358209 0.68 PTGS1 (0.45) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL8600464 0.67 PTGS1 (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL8042592 0.67 PTGS1 (0.39) LMNASLC6A6CYP2C19BLMAPP

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed