SCHEMBL196417

SCHEMBL196417

O=S(=O)([O-])c1c(Cc2cc3ccccc3c(S(=O)(=O)O)c2S(=O)(=O)O)cc2ccccc2c1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.43

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
THRB known ✓ P10828 1/20 0.30
CYP2D6 P10635 1/20 0.43
GPR35 Q9HC97 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP2C9 P11712 2/20 0.35
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
ATIC P31939 1/20 0.35
NR1I2 O75469 1/20 0.33
ACP1 P24666 1/20 0.33
MPL P40238 2/20 0.32
CTRC Q99895 1/20 0.32
ENTPD1 P49961 1/20 0.32
ENTPD2 Q9Y5L3 1/20 0.32
ME2 P23368 1/20 0.32
ME1 P48163 1/20 0.32
ME3 Q16798 1/20 0.32

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
SCHEMBL29723656 0.91 NR1I2 (0.38) CYP2D6GPR35HSD17B10HIF1AALDH1A1
SCHEMBL9465234 0.89 CYP2D6 (0.51) CYP2D6GPR35CYP1A2CYP2C19HSD17B10
SCHEMBL9838417 0.88 CYP2D6 (0.50) CYP2D6GPR35CYP1A2CYP2C19HSD17B10
SCHEMBL150862 0.79 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL31214973 0.77 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL2529080 0.75 GPR84 (0.49) CYP2D6ALDH1A1NR1I2ACP1KDM4E
SCHEMBL1146958 0.74 TLR8 (0.41) CYP2D6CYP1A2NR1I2
SCHEMBL8157496 0.74 CYP3A4 (0.45) CYP2D6CYP1A2CYP2C19HSD17B10HIF1A
SCHEMBL5182533 0.74 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL1203619 0.73 HSD17B10 (0.38) CYP1A2CYP2C19HSD17B10CYP2C9ALDH1A1

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 175 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767382-B2 Method of making a photopolymer printing plate AGFA GRAPHICS NV (BE) 2010-08-03 US claimed
US-11633948-B2 Method for making lithographic printing plates EASTMAN KODAK COMPANY (US) 2023-04-25 US disclosed
CN-113954502-B Photosensitive negative-working lithographic printing plate precursor and method for making lithographic printing plate by using the same 浙江康尔达新材料股份有限公司 2023-04-07 CN disclosed
CN-113942289-B Imageable composition for photosensitive negative-working lithographic printing plate and plate making method thereof 浙江康尔达新材料股份有限公司 2023-02-28 CN disclosed
EP-3864466-B1 AN EFFERVESCENT DEVELOPER PRECURSOR FOR PROCESSING A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA OFFSET BV (BE) 2022-11-09 EP disclosed
US-11422468-B2 Effervescent developer precursor for processing a lithographic printing plate precursor AGFA NV (BE) 2022-08-23 US disclosed
EP-4018266-A1 METHOD FOR MAKING LITHOGRAPHIC PRINTING PLATES Eastman Kodak Company (US) 2022-06-29 EP disclosed
CN-113954502-A Photosensitive negative-working lithographic printing plate precursor and method for making lithographic printing plate by using the same 浙江康尔达新材料股份有限公司 2022-01-21 CN disclosed
CN-113942289-A Imageable composition for photosensitive negative-working lithographic printing plate and plate making method thereof 浙江康尔达新材料股份有限公司 2022-01-18 CN disclosed
US-20210356869-A1 AN EFFERVESCENT DEVELOPER PRECURSOR FOR PROCESSING A LITHOGRAPHIC PRINTING PLATE PRECURSOR ECO3 BV (BE) 2021-11-18 US disclosed
US-20050084797-A1 Contrast layer comprises a colorant capable of providing a visible image after exposure and development, and the image recording layer is free of the colorant; improved image-contrast and reduced staining AGFA-GEVAERT (BE) 2005-04-21 US disclosed
EP-1524113-A2 Method of making a heat-sensitive lithographic printing plate. Agfa-Gevaert (BE) 2005-04-20 EP disclosed
EP-1524112-A2 Heat-sensitive lithographic printing plate precursor Agfa-Gevaert (BE) 2005-04-20 EP disclosed
US-20030170570-A1 Inducing coalescence of the thermoplastic polymer particles at exposed areas of the coating; developing the precursor by applying a gum solution to the coating to remove non-exposed areas of the coating from the support AGFA-GEVAERT (BE) 2003-09-11 US disclosed
EP-1342568-A1 Method of developing a heat-sensitive lithographic printing plate precursor with a gum solution AGFA-GEVAERT N.V. (BE) 2003-09-10 EP disclosed
US-4983478-A Burn-in gumming composition for offset printing plates HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed
US-4885230-A Burn-in gumming composition for offset printing plates HOECHST AKTIENGESELLSCHAFT (DE) 1989-12-05 US disclosed
US-4617250-A DIAZO RESIN, HIGH MOLECULAR WEIGHT ACID-CONTAINING COMPOUND, AROMATIC SULFONATE, AND ORGANIC DYE FUJI PHOTO FILM CO., LTD. (JP) 1986-10-14 US disclosed
US-4576893-A DIAZO RESIN, PYRIDINEDICARBOXYLIC ACID FUJI PHOTO FILM CO., LTD. (JP) 1986-03-18 US disclosed
EP-0127893-A2 Light-sensitive composition for use with lithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1984-12-12 EP disclosed