SCHEMBL7087940

SCHEMBL7087940

COC1=C(C(=O)NCCC[N+](C)(C)C)N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.53
HSD11B1 P28845 2/20 0.43
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS1 P23219 2/20 0.40
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40

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 SCHEMBL6796588 0.99 CAPN1 (0.52) CAPN1HSD11B1POLBMAPTTP53
SCHEMBL7175203 0.89 MAPT (0.48) CAPN1HSD11B1POLBMAPTTP53
Iodide SCHEMBL6790320 0.89 MAPT (0.48) CAPN1HSD11B1POLBMAPTTP53
Iodide SCHEMBL6795037 0.88 CAPN1 (0.41) CAPN1LMNATHRB
SCHEMBL7090390 0.87 CAPN1 (0.47) CAPN1HSD11B1POLBMAPTTP53
Iodide SCHEMBL6796460 0.87 CAPN1 (0.41) CAPN1HSD11B1POLBMAPTTP53
Iodide SCHEMBL6797798 0.86 CAPN1 (0.46) CAPN1HSD11B1POLBMAPTTP53
Iodide SCHEMBL6792333 0.86 PTGS1 (0.53) HSD11B1LMNAKDM4EPTGS1USP2
SCHEMBL6793771 0.85 CAPN1 (0.53) CAPN1HSD11B1POLBMAPTTP53
SCHEMBL7090095 0.83 MAPT (0.42) CAPN1HSD11B1POLBMAPTTP53

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