SCHEMBL8440189

SCHEMBL8440189

NS(=O)(=O)Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.70
CASP6 P55212 4/20 0.66
NSD2 O96028 3/20 0.66
DUSP3 P51452 2/20 0.66
PTPN5 P54829 2/20 0.66
PTPN11 Q06124 2/20 0.66
CASP7 P55210 1/20 0.66
PRMT1 Q99873 3/20 0.55
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
SNCA P37840 2/20 0.44
ENPP2 Q13822 2/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
SIRT1 Q96EB6 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
SCHEMBL8442015 0.89 PRMT1 (0.68) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8110465 0.87 CASP6 (0.64) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL12920165 0.86 NT5E (0.72) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL4651295 0.84 CASP6 (0.69) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10823372 0.84 NT5E (0.66) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8100276 0.83 NSD2 (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8439783 0.82 NT5E (1.00) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10900036 0.82 PRMT1 (0.81) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL29384348 0.82 PRMT1 (0.81) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9682571 0.82 CASP6 (0.84) NT5ECASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648814-B1 Dye containing polarizing film SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP disclosed
US-5609796-A MIXTURE OF DISAZO AND TRISAZO DYES, METALLIZED DYES, IN POLYVINYL ALCOHOL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-11 US disclosed
US-5536819-A Trisazo compounds imparting deep black color a method for dyeing by using them and an ink containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-16 US disclosed
US-5489671-A ACID AND TRIAZOLE DYES; GOOD SOLUBILITY, COLORFASTNESS, WATERPROOFING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-06 US disclosed
EP-0648814-A1 Dye containing polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-19 EP disclosed
EP-0645434-A1 Trisazo compound, method for dyeing by using it and ink containing it SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-29 EP disclosed
EP-0627470-A1 Trisazo compounds, ink containing them and method for dyeing SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-12-07 EP disclosed