SCHEMBL7090095

SCHEMBL7090095

Cc1ccc(S(=O)(=O)OC2=C(C(=O)NCCC[N+](C)(C)C)N(C)S(=O)(=O)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 2/20 0.39
CAPN1 P07384 1/20 0.39
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 3/20 0.37
HTR2B P41595 1/20 0.37

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 SCHEMBL6794705 0.99 MAPT (0.41) MAPTPOLBALDH1A1CYP3A4CYP2C9
Iodide SCHEMBL6796460 0.87 CAPN1 (0.41) MAPTPOLBCYP3A4CYP2C9SMN1; SMN2
SCHEMBL7087940 0.83 CAPN1 (0.53) MAPTPOLBCYP3A4CYP2C9SMN1; SMN2
Iodide SCHEMBL6796588 0.83 CAPN1 (0.52) MAPTPOLBCYP3A4CYP2C9CYP2C19
SCHEMBL7175203 0.82 MAPT (0.48) MAPTPOLBSMN1; SMN2HSD11B1CAPN1
Iodide SCHEMBL6790320 0.81 MAPT (0.48) MAPTPOLBSMN1; SMN2HSD11B1CAPN1
SCHEMBL6796572 0.80 MAPT (0.52) MAPTPOLBALDH1A1CYP3A4CYP2C9
SCHEMBL7090390 0.79 CAPN1 (0.47) MAPTPOLBCYP3A4CYP2C9CYP2C19
Iodide SCHEMBL6797798 0.79 CAPN1 (0.46) MAPTPOLBCYP3A4CYP2C9CYP2C19
Iodide SCHEMBL6792333 0.78 PTGS1 (0.53) CYP3A4CYP2C9CYP2C19HSD11B1LMNA

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