SCHEMBL9867247

SCHEMBL9867247

NS(=O)(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)ns1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.54
CA1 P00915 13/20 0.54
CA9 Q16790 12/20 0.54
CA12 O43570 9/20 0.54
CA14 Q9ULX7 5/20 0.54
CA5A P35218 3/20 0.50
CA4 P22748 3/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA13 Q8N1Q1 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
MAPT P10636 1/20 0.43
XDH P47989 1/20 0.42
APP P05067 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 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
SCHEMBL8999360 0.85 MEN1 (0.48) CA2CA1CA9CA12CA14
SCHEMBL11423635 0.80 ADORA3 (0.56) CA2CA1CA9CA12CA14
SCHEMBL9868097 0.79 CYP19A1 (0.58) CA2CA1CA9CA12CA14
SCHEMBL9869169 0.78 CA2 (0.47) CA2CA1CA9CA12CA5A
SCHEMBL9866328 0.78 NPC1 (0.49) CA2CA1CA9CA12CA14
SCHEMBL9866053 0.78 CA2 (0.43) CA2CA1CA9CA12CA5A
SCHEMBL9867067 0.77 ADORA3 (0.56) CA2CA1CA9CA12CA14
SCHEMBL8806142 0.76 XDH (0.45) MAPTXDHAPPMGAMGAA
SCHEMBL10749315 0.76 CASP3 (0.48) MAPTXDHAPPMGAMGAA
SCHEMBL9868617 0.76 MAPT (0.43) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US claimed
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US disclosed
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 US disclosed
EP-0276822-A1 Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-03 EP disclosed
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US disclosed