SCHEMBL4664432

SCHEMBL4664432

NS(=O)(=O)c1ccccc1Cc1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.42
CA2 P00918 11/20 0.42
CA9 Q16790 7/20 0.42
CA6 P23280 3/20 0.41
CA12 O43570 3/20 0.41
CA4 P22748 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C9 P11712 1/20 0.41
KEAP1 Q14145 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36

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
SCHEMBL28818935 0.86 MMP2 (0.38) CA1CA2CA9KEAP1BCL2
SCHEMBL30988956 0.85 CA2 (0.50) CA1CA2CA9CA6CA12
SCHEMBL407413 0.85 CA2 (0.50) CA1CA2CA9CA6CA12
Methane SCHEMBL28850761 0.84 CA2 (0.49) CA1CA2CA9CA6CA12
Hydrochloric Acid SCHEMBL3517386 0.84 CA1 (0.49) CA1CA2CA9CA6CA12
SCHEMBL4662818 0.83 CA2 (0.47) CA1CA2CA9CA6CA12
SCHEMBL4663042 0.83 KCNA5 (0.43) CA1CA2CA9CA6CA12
SCHEMBL4662843 0.83 PTGES2 (0.54) CA1CA2CA9CA6CA12
SCHEMBL4662822 0.82 LMNA (0.43) CA1CA2CA9CA6CA12
SCHEMBL4183580 0.79 CA1 (0.45) CA1CA2CA9CA6CA12

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