SCHEMBL7764796

SCHEMBL7764796

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.46
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 2/20 0.42
PARP1 P09874 5/20 0.40
FURIN P09958 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL1019800 0.83 TSHR (0.50) STSTDP1L3MBTL1CA1CA2
SCHEMBL2813323 0.78 L3MBTL1 (0.46) STSATMTDP1L3MBTL1CA1
SCHEMBL29240939 0.76 L3MBTL1 (0.44) STSATMTDP1L3MBTL1CA1
SCHEMBL8673135 0.74 TDP1 (0.43) STSATMTDP1L3MBTL1CA1
Isophthalic Acid SCHEMBL28339168 0.74 CA1 (0.58) ATMTDP1L3MBTL1CA1CA2
SCHEMBL28566400 0.73 F7 (0.60) L3MBTL1
Sulfuric Acid SCHEMBL28426593 0.71 PARP1 (0.65) STSATMTDP1L3MBTL1CA2
Acrylamide SCHEMBL29263993 0.71 AKT1 (0.48) STSTDP1L3MBTL1CA1CA2
SCHEMBL9197334 0.70 ALDH1A1 (0.46) STSATMTDP1L3MBTL1CA1
Isophthalic Acid SCHEMBL27499723 0.70 CA1 (0.53) CA1CA2CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP claimed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US claimed
JP-11322732-A None JP disclosed
JP-H11322732-A PRODUCTION OF SACCHARINCARBONYL HALIDE BASF AG 1999-11-24 JP disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed