SCHEMBL2372301

SCHEMBL2372301

Cc1ccc(S(=O)(=O)[N-]Cl)cc1.Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].[Na+]

nearest known ligand 0.96

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.48
CA2 known ✓ P00918 4/20 0.48
CA12 known ✓ O43570 2/20 0.48
TLR9 known ✓ Q9NR96 1/20 0.46
GAA P10253 2/20 0.52
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 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
SCHEMBL31448661 1.00 GAA (0.52) GAACA1CA2CA12CA9
Chloramine-T Anhydrous SCHEMBL19335 1.00 GAA (0.52) GAACA1CA2CA12CA9
SCHEMBL8908023 1.00 GAA (0.52) GAACA1CA2CA12CA9
Water SCHEMBL353112 0.98 GAA (0.50) GAACA1CA2CA12CA9
SCHEMBL7687453 0.98 GAA (0.50) GAACA1CA2CA12CA9
Phosphine SCHEMBL7592008 0.98 GAA (0.50) GAACA1CA2CA12CA9
Ammonia Solution, Strong SCHEMBL3915653 0.98 GAA (0.50) GAACA1CA2CA12CA9
Water SCHEMBL2441113 0.98 GAA (0.50) GAACA1CA2CA12CA9
Water SCHEMBL30669763 0.98 GAA (0.50) GAACA1CA2CA12CA9
Hydrochloric Acid SCHEMBL7829340 0.98 GAA (0.50) GAACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2548410-B1 LOW-VOLTAGE POWER SUPPLY FOR AN LED LIGHTING SYSTEM TRIDONIC AG (CH) 2017-06-14 EP disclosed
EP-2548410-A1 LOW-VOLTAGE POWER SUPPLY FOR AN LED LIGHTING SYSTEM Tridonic AG (CH) 2013-01-23 EP disclosed
EP-2084577-B1 HIGH SOLIDS LIQUID TONER CONCENTRATE AND METHOD OF ITS PRODUCTION HEWLETT PACKARD DEVELOPMENT CO (US) 2012-12-19 EP disclosed
WO-2011113958-A1 LOW-VOLTAGE POWER SUPPLY FOR AN LED LIGHTING SYSTEM TRIDONIC AG (CH) 2011-09-22 WO disclosed
EP-2084577-A1 HIGH SOLIDS LIQUID TONER CONCENTRATE AND METHOD OF ITS PRODUCTION Hewlett-Packard Development Company, L.P. (US) 2009-08-05 EP disclosed
WO-2008054386-A1 HIGH SOLIDS LIQUID TONER CONCENTRATE AND METHOD OF ITS PRODUCTION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-05-08 WO disclosed
US-6057384-A VEHICLE AND COLORANT ASSOCIATED WITH A PRIMER CORE/SHELL POLYMER; DURABLR SMEAR-FAST FILM HEWLETT-PACKARD COMPANY (US) 2000-05-02 US disclosed
US-6036759-A Black to color bleed control in ink-jet printing inks HEWLETT-PACKARD COMPANY (US) 2000-03-14 US disclosed
US-6034153-A STABLE COLORANT HEWLETT-PACKARD COMPANY (US) 2000-03-07 US disclosed
US-6019828-A Ink compositions having superior smearfastness and reduced smudging and blot dry time HEWLETT-PACKARD COMPANY (US) 2000-02-01 US disclosed
US-5990202-A DURABLE, SMEAR-FAST INK FILMS COMPRISING DUAL ENCAPSULATED COLORANT; A PRIMER CORE/SHELL POLYMER COATING A COLORANT (ADHESION) AND AN EXTERIOR CORE/SHELL POLYMER COATING FOR DURABILITY HEWLETT-PACKARD COMPANY (US) 1999-11-23 US disclosed
US-5976232-A FORCING THE PIGMENT THROUGH AN ACUTE PRESSURE VALVE PROCESS WHEREIN THE PIGMENT IS HOMOGENIZED TO A SIZE OF ABOUT 0.1 MU.M. HEWLETT-PACKARD COMPANY (US) 1999-11-02 US disclosed
US-5891232-A IONIC SURFACTANT IS OF THE OPPOSITE POLARITY OF THE MACROMOLECULAR CHROMOPHORE HEWLETT-PACKARD COMPANY (US) 1999-04-06 US disclosed
US-5886065-A WATERFASTNESS, NON-FLOCCULATING HEWLETT-PACKARD COMPANY (US) 1999-03-23 US disclosed
US-5853465-A Black-to-color bleed alleviation using non-specific ionic, pH, and colloidal effects HEWLETT-PACKARD COMPANY (US) 1998-12-29 US disclosed
US-4194920-A EMULSION POLYMERIZATION TO ENCAPSULATE MICRONIZED PIGMENTS Darrah, Marion (US) 1980-03-25 US disclosed
US-4154621-A Intrachromoleucospheruloid pigment compositions and processes for producing the same Darrah, Marion (US) 1979-05-15 US disclosed
US-4132561-A Intrachromospheruloid pigments and processes for producing same Darrah, Marion (US) 1979-01-02 US disclosed