SCHEMBL7175203

SCHEMBL7175203

CC(=O)OC1=C(C(=O)NCCC[N+](C)(C)C)N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
TP53 P04637 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 4/20 0.48
HSD11B1 P28845 2/20 0.43
CAPN1 P07384 1/20 0.43
HTR1A P08908 1/20 0.42
PTGS1 P23219 1/20 0.42

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
Iodide SCHEMBL6790320 0.99 MAPT (0.48) MAPTTP53SMN1; SMN2POLBHSD11B1
SCHEMBL7087940 0.89 CAPN1 (0.53) MAPTTP53SMN1; SMN2POLBHSD11B1
Iodide SCHEMBL6796588 0.88 CAPN1 (0.52) MAPTTP53POLBHSD11B1CAPN1
Iodide SCHEMBL6796460 0.85 CAPN1 (0.41) MAPTTP53SMN1; SMN2POLBHSD11B1
SCHEMBL7090390 0.85 CAPN1 (0.47) MAPTTP53POLBHSD11B1CAPN1
Iodide SCHEMBL6797798 0.84 CAPN1 (0.46) MAPTTP53POLBHSD11B1CAPN1
Iodide SCHEMBL6792333 0.84 PTGS1 (0.53) HSD11B1PTGS1
SCHEMBL7090095 0.82 MAPT (0.42) MAPTTP53SMN1; SMN2POLBHSD11B1
Iodide SCHEMBL6794705 0.81 MAPT (0.41) MAPTTP53SMN1; SMN2POLBHSD11B1
Iodide SCHEMBL6802074 0.81 PTGS1 (0.54) HSD11B1PTGS1

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-1343774-A1 1,1-DIOXO-2H-1, 2-BENZOTHIAZINE-3-CARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Les Laboratoires Servier (FR) 2003-09-17 EP disclosed
WO-2002050049-A1 1,1-DIOXO-2H-1, 2-BENZOTHIAZINE-3-CARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME LES LABORATOIRES SERVIER (FR) 2002-06-27 WO disclosed