SCHEMBL9340309

SCHEMBL9340309

Nc1cc(S(=O)(=O)O)c2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.65
CASP6 P55212 3/20 0.55
NSD2 O96028 2/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
PRMT1 Q99873 1/20 0.49
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 2/20 0.46
PTPN1 P18031 2/20 0.44
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 1/20 0.41
DNASE1L3 Q13609 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
SCHEMBL29495016 0.88 NT5E (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL27147244 0.88 NT5E (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL29677235 0.88 NT5E (0.65) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL2928135 0.88 NT5E (0.65) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL29677298 0.88 NT5E (0.65) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL3501682 0.86 NT5E (0.62) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9776639 0.82 NT5E (0.63) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL21894602 0.80 NT5E (0.65) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL564558 0.80 NT5E (0.74) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL66310 0.80 NT5E (0.74) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333653-B1 Reactive dyes, process for their preparation and their use CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
US-5256773-A Copper complexes of 4-fluoro-5-chloropyrimidin-6-yl containing ractive mondazo dyes BAYER AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
EP-0457141-A2 Reactive dyes BAYER AG (DE) 1991-11-21 EP disclosed
US-4963659-A DYEING CELLULOSE, PRINTING TEXTILES CIBA-GEIGY CORPORATION (US) 1990-10-16 US disclosed
EP-0333653-A2 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US disclosed