SCHEMBL1879802

SCHEMBL1879802

Nc1ccc(S(=O)(=O)CCOS(=O)(=O)OCCS(=O)(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NT5E P21589 1/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 1/20 0.45
MPO P05164 1/20 0.45
HTR6 P50406 1/20 0.45
CA2 P00918 5/20 0.43
CA1 P00915 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL314732 0.87 TSHR (0.50) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL2949741 0.85 GAA (0.48) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL8346158 0.85 GAA (0.48) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL9420489 0.82 GAA (0.53) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL21219606 0.81 GAA (0.52) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL5367942 0.79 ALDH1A1 (0.53) TSHRALDH1A1LMNAHTR6CA2
SCHEMBL27781835 0.78 GAA (0.48) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL29980399 0.77 GAA (0.61) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL14271176 0.77 GAA (0.47) GAATSHRALDH1A1NT5ECYP3A4
SCHEMBL28621564 0.77 GAA (0.47) GAATSHRALDH1A1NT5ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548647-B2 Spraying coupling components in solution or suspension to collide in reactor chamber, then pressurizing to remove; useful for offset printing inks CLARIANT GMBH (DE) 2003-04-15 US claimed
US-20020055619-A1 Process for preparing azo colorants CLARIANT GMBH 2002-05-09 US claimed
US-20110207860-A1 Inkjet Ink Compositions Comprising Polymeric Dispersants Having Attached Chromophore Groups CABOT CORPORATION (US) 2011-08-25 US disclosed
US-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
EP-1981943-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS Cabot Corporation (US) 2008-10-22 EP disclosed
US-7309389-B2 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE (BVI) LIMITED (VG) 2007-12-18 US disclosed
WO-2007089859-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS CABOT CORPORATION (US) 2007-08-09 WO disclosed
US-20070179215-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179213-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179214-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-7135266-B2 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE (BVI) LIMITED (VG) 2006-11-14 US disclosed
US-20060228640-A1 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE (BVI) LIMITED 2006-10-12 US disclosed
US-20060042117-A1 Method and device for carrying out chemical and physical methods CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-03-02 US disclosed
US-20040131507-A1 Adjustment of concentration of reactants; rotating electrodes transverse to fluid flow; process control SAITMACHER KLAUS (DE) 2004-07-08 US disclosed
US-20030083410-A1 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE ( BVI) LIMITED 2003-05-01 US disclosed
US-6548647-B2 Spraying coupling components in solution or suspension to collide in reactor chamber, then pressurizing to remove; useful for offset printing inks CLARIANT GMBH (DE) 2003-04-15 US disclosed
US-6469147-B2 DIAZOTIZATION CLARIANT FINANCE (BVI) LIMITED (VG) 2002-10-22 US disclosed
US-20020055619-A1 Process for preparing azo colorants CLARIANT GMBH 2002-05-09 US disclosed
US-20010029294-A1 Preparation of azo colorants in microreactors CLARIANT INTERNATIONAL LTD. 2001-10-11 US disclosed