SCHEMBL4662879

SCHEMBL4662879

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
PTGES2 Q9H7Z7 2/20 0.45
CA1 P00915 7/20 0.44
CA2 P00918 7/20 0.44
CA9 Q16790 6/20 0.44
CA12 O43570 4/20 0.44
CA4 P22748 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
NSD2 O96028 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL28239577 0.87 MAPT (0.49) MAPTLOXL2NSD2SAE1UBA2
SCHEMBL7581277 0.84 CA2 (0.46) MAPTPTGES2CA1CA2CA9
SCHEMBL407413 0.81 CA2 (0.50) PTGES2CA1CA2CA9CA12
SCHEMBL30988956 0.81 CA2 (0.50) PTGES2CA1CA2CA9CA12
Hydrochloric Acid SCHEMBL3517386 0.80 CA1 (0.49) PTGES2CA1CA2CA9CA12
Methane SCHEMBL28850761 0.80 CA2 (0.49) PTGES2CA1CA2CA9CA12
SCHEMBL4662843 0.79 PTGES2 (0.54) MAPTPTGES2CA1CA2CA9
SCHEMBL4663042 0.79 KCNA5 (0.43) CA1CA2CA9CA12CA4
SCHEMBL4664432 0.79 CA1 (0.42) PTGES2CA1CA2CA9CA12
SCHEMBL4662818 0.79 CA2 (0.47) PTGES2CA1CA2CA9CA12

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