SCHEMBL4329660

SCHEMBL4329660

[N-]=[N+]=NS(=O)(=O)c1ccc2cccc(S(=O)(=O)N=[N+]=[N-])c2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.39
PRSS1 P07477 5/20 0.39
PRSS2 P07478 5/20 0.39
PRSS3 P35030 5/20 0.39
HTR6 P50406 3/20 0.36
BCL2L1 Q07817 1/20 0.34
BAK1 Q16611 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NQO2 P16083 3/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 2/20 0.32
LMNA P02545 1/20 0.31
DUSP5 Q16690 1/20 0.31
HCRTR1 O43613 1/20 0.30

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
SCHEMBL1790289 0.82 F2 (0.56) F2PRSS1PRSS2PRSS3HTR6
SCHEMBL29723528 0.82 F2 (0.56) F2PRSS1PRSS2PRSS3HTR6
SCHEMBL30286769 0.79 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL875072 0.79 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL180705 0.77 F2 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5401910 0.76 CA1 (0.43) F2PRSS1PRSS2PRSS3HTR6
SCHEMBL4329198 0.75 CA1 (0.35) CA1CA2CA9
SCHEMBL26603542 0.74 ALDH1A1 (0.44) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10616438 0.72 GAA (0.34) F2PRSS1PRSS2PRSS3HTR6
SCHEMBL183894 0.72 F2 (0.37) F2PRSS1PRSS2PRSS3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4344471-B2 2009-10-14 JP claimed
JP-2001514289-A 2001-09-11 JP claimed
JP-2001514288-A 2001-09-11 JP claimed
JP-2001514287-A 2001-09-11 JP claimed
EP-1007585-A1 RHEOLOGY MODIFICATION OF INTERPOLYMERS OF ALPHA-OLEFINS AND VINYL AROMATIC MONOMERS THE DOW CHEMICAL COMPANY (US) 2000-06-14 EP claimed
EP-1007586-A1 RHEOLOGY MODIFICATION OF LOW DENSITY POLYETHYLENE THE DOW CHEMICAL COMPANY (US) 2000-06-14 EP claimed
EP-1007587-A1 RHEOLOGY MODIFICATION OF ELASTOMERS THE DOW CHEMICAL COMPANY (US) 2000-06-14 EP claimed
WO-1999010423-A1 RHEOLOGY MODIFICATION OF ELASTOMERS THE DOW CHEMICAL COMPANY (US) 1999-03-04 WO claimed
WO-1999010422-A1 RHEOLOGY MODIFICATION OF LOW DENSITY POLYETHYLENE THE DOW CHEMICAL COMPANY (US) 1999-03-04 WO claimed
WO-1999010421-A1 RHEOLOGY MODIFICATION OF INTERPOLYMERS OF ALPHA-OLEFINS AND VINYL AROMATIC MONOMERS THE DOW CHEMICAL COMPANY (US) 1999-03-04 WO claimed
EP-1263873-A2 POLYOLEFIN COMPOSITION WITH IMPROVED IMPACT PROPERTIES THE DOW CHEMICAL COMPANY (US) 2002-12-11 EP disclosed
WO-2000078858-A2 POLYOLEFIN COMPOSITION WITH IMPROVED IMPACT PROPERTIES THE DOW CHEMICAL COMPANY (US) 2000-12-28 WO disclosed