SCHEMBL7091506

SCHEMBL7091506

CN1C(C(=O)O)=Cc2ccccc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD11B1 P28845 3/20 0.41
CAPN1 P07384 2/20 0.40
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.34

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
SCHEMBL11701961 0.85 CA2 (0.41) CA2CA9HSD11B1CAPN1MAPT
SCHEMBL6800970 0.83 HSD11B1 (0.40) CA2CA9HSD11B1CAPN1MAPT
SCHEMBL9879630 0.74 KDM4E (0.60) MAPTPOLBCYP3A4CYP2C9CYP2C19
SCHEMBL9619763 0.73 KDM4E (0.38) CA2CA9CYP3A4CYP2C9CYP2C19
SCHEMBL7192499 0.72 CAPN1 (0.38) CAPN1
Iodide SCHEMBL6795260 0.72 CAPN1 (0.38) CAPN1
SCHEMBL13535125 0.71 PTGS1 (0.62) MAPTPOLBCYP3A4CYP2C9SMN1; SMN2
SCHEMBL7188174 0.70 EDNRA (0.42) CA9MAPTTDP1ALDH1A1TP53
SCHEMBL2351157 0.66 HSD11B1 (0.66) CA2CA9HSD11B1CYP3A4CYP2C9
SCHEMBL7088707 0.65 CAPN1 (0.59) CA2CA9HSD11B1CAPN1MAPT

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