SCHEMBL491025

SCHEMBL491025

Cc1ccc(S(=O)(=O)Oc2ccc(/N=N/c3c(C)nn(-c4ccc(Cl)cc4S(=O)(=O)[O-])c3O)cc2)cc1.[Na+]

nearest known ligand 0.56

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 0.46
▸ CA12 known ✓ O43570 5/20 0.36
▸ CA1 known ✓ P00915 5/20 0.36
▸ CA2 known ✓ P00918 5/20 0.36
▸ ALOX5 known ✓ P09917 1/20 0.33
▸ PTGS2 known ✓ P35354 1/20 0.33
▸ ATIC P31939 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39

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
SCHEMBL18834108 1.00 ATIC (0.56) ATICALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL28579797 0.92 ATIC (0.66) ATICALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL2858701 0.75 ATIC (0.50) ATICALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL28579794 0.69 ATIC (0.60) ATICALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL13316745 0.69 NPC1 (0.41) ALDH1A1ALOX12MAPK1SMN1; SMN2TDP1
SCHEMBL11047987 0.68 POLB (0.40) ATICALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL11047990 0.68 POLB (0.40) ATICALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL30371777 0.68 ATIC (0.60) ATICALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL13557906 0.68 CYP1A2 (0.40) ATICALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL14373601 0.68 CYP1A2 (0.40) ATICALDH1A1ALOX12MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106167996-B Livewire work damp-proof mulberry insulation rope and preparation method thereof 国网湖南省电力公司带电作业中心 2018-06-01 — — CN claimed
CN-106167996-A Livewire work damp-proof mulberry insulation rope and preparation method thereof 国网湖南省电力公司带电作业中心 2016-11-30 — — CN claimed
US-9296901-B2 Composite particles, and coloring composition and resin composition using the same TODA KOGYO CORPORATION (JP) 2016-03-29 — — US claimed
US-20110071629-A1 ULTRA VIOLET, VIOLET, AND BLUE LIGHT FILTERING POLYMERS FOR OPHTHALMIC APPLICATIONS KEY MEDICAL TECHNOLOGIES, INC. (US) 2011-03-24 — — US claimed
US-7842367-B2 Ultra violet, violet, and blue light filtering polymers for ophthalmic applications KEY MEDICAL TECHNOLOGIES, INC. (US) 2010-11-30 — — US claimed
CN-100557107-C A kind of manufacture method that can regulate the lining of temperature BEIJING TOPNEW KNITTING GROUP (CN) 2009-11-04 — — CN claimed
EP-1981438-A2 ULTRA VIOLET, VIOLET, AND BLUE LIGHT FILTERING POLYMERS FOR OPHTHALMIC APPLICATIONS Key Medical Technologies, Inc. (US) 2008-10-22 — — EP claimed
WO-2007092933-A2 ULTRA VIOLET, VIOLET, AND BLUE LIGHT FILTERING POLYMERS FOR OPHTHALMIC APPLICATIONS KEY MEDICAL TECHNOLOGIES, INC. (US) 2007-08-16 — — WO claimed
CN-1876914-A Manufacturing method for fabric capable of regulating temperature BEIJING TOPNEW KNITTING GROUP (CN) 2006-12-13 — — CN claimed
US-20060252844-A1 Ultra violet, violet, and blue light filtering polymers for ophthalmic applications KEY MEDICAL TECHNOLOGIES, INC. (US) 2006-11-09 — — US claimed
CN-1238719-C Humidity chromogenic indicator and chromatropic silica gel prepared therwith and its preparing method LI YONGZHAO (CN) 2006-01-25 — — CN claimed
CN-1190554-C Method for producing damp-proof mulberry insulation rope for hot-line work TIANHONG ELECTRIC IMPLEMENT CO (CN) 2005-02-23 — — CN claimed
CN-1470869-A Humidity chromogenic indicator and chromatropic silica gel prepared therwith and its preparing method 李永兆 2004-01-28 — — CN claimed
CN-1438382-A Method for producing damp-proof mulberry insulation rope for hot-line work TIANHONG ELECTRIC IMPLEMENT CO (CN) 2003-08-27 — — CN claimed
WO-2002059093-A1 METHODS AND COMPOSITIONS FOR BINDING NUCLEIC ACID MOLECULES GENESPAN CORPORATION (US) 2002-08-01 — — WO claimed
EP-0533937-B1 ACIDIC HAIR DYE COMPOSITION SHISEIDO CO LTD (JP) 1997-05-14 — — EP claimed
JP-59101411-A — — None — — JP disclosed
US-20250108658-A1 INKJET PRINTING PROCESSES FOR TEMPORARY TATTOOS Prism Inks, Inc. (US) 2025-04-03 — — US disclosed
US-4033974-A Pyridylmethyl esters of N-(phenoxyalkanoyl)peptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-05 — — US disclosed
US-3956484-A Pyridylmethyl esters of N-(phenoxyalkanoyl)peptide derivatives for therepeutic use AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-11 — — US disclosed
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