SCHEMBL752770

SCHEMBL752770

COc1cc(-c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4ccccc4c3O)c(OC)c2)ccc1/N=N/c1cc(S(=O)(=O)[O-])c2ccccc2c1O.[Na+].[Na+]

nearest known ligand 0.69

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 4/20 0.69
CYP3A4 P08684 3/20 0.63
HPGD P15428 3/20 0.63
MAPK1 P28482 3/20 0.63
RECQL P46063 3/20 0.63
HSD17B10 Q99714 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
APEX1 P27695 2/20 0.63
KMT2A Q03164 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
USP2 O75604 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
MIF P14174 1/20 0.63
CYP2C19 P33261 1/20 0.63
HIF1A Q16665 1/20 0.63
PHLPP2 Q6ZVD8 2/20 0.60
HSPD1 P10809 2/20 0.58
HSPE1 P61604 2/20 0.58

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
SCHEMBL29741563 1.00 THRB (0.69) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL1352715 0.94 THRB (0.66) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL752771 0.91 THRB (0.57) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL1435814 0.90 THRB (0.68) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL29358163 0.90 THRB (0.68) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL23787721 0.89 PHLPP2 (0.72) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL29382082 0.85 THRB (0.74) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL29637813 0.85 PHLPP2 (0.82) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL1423903 0.83 PHLPP2 (0.70) THRBCYP3A4HPGDMAPK1RECQL
SCHEMBL1423907 0.83 PHLPP2 (0.70) THRBCYP3A4HPGDMAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6739779-B1 Fabric repair coloring device and method of using DEEDS SUZANNE M (US) 2004-05-25 US claimed
US-4025164-A Liquid crystal display device for colored display of information with a selective polarizer BBC BROWN BOVERI & COMPANY LIMITED (CH) 1977-05-24 US claimed
EP-3892228-B1 MEDICAL INSTRUMENT OR PART OF A MEDICAL INSTRUMENT AESCULAP AG (DE) 2024-05-08 EP disclosed
CN-217188802-U Nivensic acid production waste gas treatment system 洛阳和利时环保工程有限公司 2022-08-16 CN disclosed
EP-3892228-A1 MEDICAL INSTRUMENT OR PART OF A MEDICAL INSTRUMENT Aesculap AG (DE) 2021-10-13 EP disclosed
US-9676951-B2 Ink-jet ink set SEIKO EPSON CORPORATION (JP) 2017-06-13 US disclosed
US-9573361-B2 Image-forming method CANON KABUSHIKI KAISHA (JP) 2017-02-21 US disclosed
US-9353337-B2 Liquid cleaning composition THE PROCTER & GAMBLE COMPANY (US) 2016-05-31 US disclosed
EP-2431452-B1 Liquid cleaning composition PROCTER & GAMBLE (US) 2015-07-08 EP disclosed
US-20140345494-A1 INK-JET INK SET SEIKO EPSON CORPORATION (JP) 2014-11-27 US disclosed
US-20130088543-A1 IMAGE-FORMING METHOD CANON KABUSHIKI KAISHA (JP) 2013-04-11 US disclosed
WO-1998030642-A1 METHODS FOR IMPROVING THE ADHESION AND/OR COLORFASTNESS OF INK JET INKS WITH RESPECT TO SUBSTRATES APPLIED THERETO, AND COMPOSITIONS USEFUL THEREFOR FORMULABS (US) 1998-07-16 WO disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed
EP-0825029-A2 Printer and printing method SONY CORPORATION (JP) 1998-02-25 EP disclosed
US-5529617-A MIXTURE OF WATER, COLORING MATERIAL, HIGH MOLECULAR WEIGHT SURFACTANT AND SULFUR CONTAINING ALCOHOL FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed
EP-0633914-A1 PENETRANTS FOR AQUEOUS INK JET INKS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-18 EP disclosed
WO-1992022614-A1 PENETRANTS FOR AQUEOUS INK JET INKS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-23 WO disclosed
US-5141556-A Branched diols or hexene-1,2-diols along with a pigment or dye; rapid drying; storage stability; quality; thermal printers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-25 US disclosed
US-4604337-A Electrophotographic color copying paper and copying method making use of the same OLYMPUS OPTICAL CO., LTD. (JP) 1986-08-05 US disclosed
US-4365998-A Aqueous inks for ink jet printing FUJI PHOTO FILM CO., LTD. (JP) 1982-12-28 US disclosed