SCHEMBL4661669

SCHEMBL4661669

O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
ALDH1A1 P00352 9/20 0.58
VCAM1 P19320 1/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
SLC12A2 P55011 1/20 0.53
SLC12A5 Q9H2X9 1/20 0.53
KEAP1 Q14145 1/20 0.53
CYP19A1 P11511 2/20 0.50
HTT P42858 2/20 0.49

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
SCHEMBL29540801 0.81 KEAP1 (0.70) CA12ALDH1A1MEN1KMT2APKM
SCHEMBL22234206 0.81 CYP19A1 (0.68) CA12ALDH1A1MAPTMEN1KMT2A
SCHEMBL2634894 0.81 CA12 (0.61) CA12ALDH1A1MAPTMEN1KMT2A
SCHEMBL4786633 0.76 CA12 (0.56) CA12ALDH1A1MEN1KMT2AHTT
SCHEMBL4068758 0.76 HTT (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4661775 0.75 CA2 (0.76) CA12ALDH1A1VCAM1MAPTMEN1
SCHEMBL29258301 0.75 CYP19A1 (0.59) CA12ALDH1A1MAPTMEN1KMT2A
SCHEMBL29258367 0.75 CYP19A1 (0.59) CA12ALDH1A1MAPTMEN1KMT2A
SCHEMBL5429675 0.75 LMNA (0.57) CA12ALDH1A1VCAM1MAPTLMNA
SCHEMBL27639297 0.75 CYP19A1 (0.56) CA12ALDH1A1MAPTMEN1KMT2A

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-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