SCHEMBL6929533

SCHEMBL6929533

N=C(N)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
CA4 P22748 2/20 0.52
CA14 Q9ULX7 2/20 0.52
PRSS1 P07477 6/20 0.50
PRSS2 P07478 6/20 0.50
PRSS3 P35030 6/20 0.50
F2 P00734 2/20 0.50
C1S P09871 1/20 0.50
PLG P00747 1/20 0.50
NOS1 P29475 1/20 0.50
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
F10 P00742 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL29732496 0.83 F2 (0.52) PRSS1PRSS2PRSS3F2C1S
SCHEMBL16365887 0.83 F2 (0.52) PRSS1PRSS2PRSS3F2C1S
SCHEMBL1805285 0.82 CA2 (0.61) CA1CA2CA12CA9CA4
SCHEMBL30230622 0.82 CA2 (0.61) CA1CA2CA12CA9CA4
Hydrochloric Acid SCHEMBL23167176 0.81 F2 (0.55) PRSS1PRSS2PRSS3F2C1S
SCHEMBL1805282 0.81 CA2 (0.59) CA1CA2CA12CA9CA4
SCHEMBL3814297 0.81 CA2 (0.59) CA1CA2CA12CA9CA4
SCHEMBL313691 0.80 CA2 (0.53) CA1CA2CA12CA9CA4
SCHEMBL7913940 0.80 CA1 (0.64) CA1CA2CA12CA9CA4
SCHEMBL14973217 0.79 CA2 (0.52) CA1CA2CA12CA9CA4

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
EP-1174421-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-01-23 EP claimed
EP-1174421-A4 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2003-04-23 EP disclosed
EP-1174421-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-01-23 EP disclosed
EP-1174421-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-01-23 EP disclosed
WO-2000059876-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-12 WO disclosed