SCHEMBL4662818

SCHEMBL4662818

Cc1ccc(Cc2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.47
CA9 Q16790 8/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 9/20 0.44
CA7 P43166 4/20 0.44
CA4 P22748 4/20 0.44
CA6 P23280 3/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA3 P07451 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
CA14 Q9ULX7 2/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9820069 0.86 MEN1 (0.42) CA2CA9CA12CA1MEN1
SCHEMBL407413 0.85 CA2 (0.50) CA2CA9CA12CA1CA7
SCHEMBL30988956 0.85 CA2 (0.50) CA2CA9CA12CA1CA7
Hydrochloric Acid SCHEMBL3517386 0.84 CA1 (0.49) CA2CA9CA12CA1CA7
Methane SCHEMBL28850761 0.84 CA2 (0.49) CA2CA9CA12CA1CA7
SCHEMBL4662843 0.83 PTGES2 (0.54) CA2CA9CA12CA1CA7
SCHEMBL4664432 0.83 CA1 (0.42) CA2CA9CA12CA1CA7
SCHEMBL4663042 0.83 KCNA5 (0.43) CA2CA9CA12CA1CA7
SCHEMBL4661657 0.82 CA2 (0.44) CA2CA9CA12CA1CA7
SCHEMBL3659180 0.82 LTA4H (0.51) CA2CA9CA12CA1CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020922-B Preparation method of cyclic sulfonamide compound 陕西师范大学 2022-01-04 CN disclosed
CN-109020922-A A kind of preparation method of cyclic sulfonamide class compound 陕西师范大学 2018-12-18 CN disclosed
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