SCHEMBL4661602

SCHEMBL4661602

O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.82
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2C19 P33261 1/20 0.80
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
KEAP1 Q14145 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
VCAM1 P19320 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA12 O43570 1/20 0.54
ATM Q13315 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL4349159 0.91 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL30075076 0.91 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL121841 0.85 CYP19A1 (0.80) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL28156592 0.84 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13623003 0.84 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4661775 0.84 CA2 (0.76) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL12813074 0.83 CYP19A1 (0.77) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL21048461 0.83 KEAP1 (0.81) CYP19A1CYP1A2CYP3A4KEAP1L3MBTL1
Hydrochloric Acid SCHEMBL1025050 0.83 CYP19A1 (0.81) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1028583 0.81 CYP19A1 (0.73) CYP19A1CYP1A2CYP3A4CYP2C19MEN1

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
EP-2007760-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-31 EP disclosed
WO-2007108569-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-09-27 WO disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed