SCHEMBL523942

SCHEMBL523942

CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c2c1.[Na+].[Na+]

nearest known ligand 0.63

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 13)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 0.63
CA2 known ✓ P00918 1/20 0.51
PRMT1 Q99873 3/20 0.51
PRMT3 O60678 1/20 0.51
EP300 Q09472 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
CA3 P07451 1/20 0.51
ENPP2 Q13822 7/20 0.46
CD40 P25942 1/20 0.45
CD40LG P29965 1/20 0.45
CARM1 Q86X55 1/20 0.44
AMY1A P0DUB6 4/20 0.42
PHLPP2 Q6ZVD8 1/20 0.41

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
SCHEMBL20483012 1.00 THRB (0.63) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL29378688 1.00 THRB (0.63) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL14529309 0.89 PRMT3 (0.58) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL13880628 0.89 PRMT3 (0.58) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL31519881 0.89 PRMT3 (0.58) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL10611415 0.83 PRMT1 (0.67) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL10611423 0.83 PRMT1 (0.67) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL29660882 0.83 PRMT1 (0.67) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL9888528 0.83 PRMT3 (0.58) THRBPRMT1PRMT3EP300PRMT6
SCHEMBL5000592 0.82 PRMT3 (0.56) THRBPRMT1PRMT3EP300PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027454-A1 DETECTING MICROBIAL INFECTION IN WOUNDS SYNOVO GMBH (DE) 2024-01-25 US claimed
US-11740241-B2 Construct including an anchor, an enzyme recognition site and an indicator region for detecting microbial infection in wounds SYNOVO GMBH (DE) 2023-08-29 US claimed
CN-113578277-B Ni/Co MOF preparation method and application thereof in treatment of colored wastewater 天津工业大学 2023-07-18 CN claimed
WO-2023122006-A1 COLOR CHANGING POLYMERIC RESIN COMPOSITIONS ECOLAB USA INC. (US) 2023-06-29 WO claimed
US-20230193011-A1 COLOR CHANGING POLYMERIC RESIN COMPOSITIONS ECOLAB USA INC. 2023-06-22 US claimed
EP-3953702-A1 PH SENSITIVE COLOR INDICATOR FOR SANITIZING APPLICATIONS Ecolab USA Inc. (US) 2022-02-16 EP claimed
US-20220026411-A1 ANALYTICAL METHODS AND ARRAYS FOR USE IN THE SAME SENZAGEN AB (SE) 2022-01-27 US claimed
CN-113811760-A pH sensitive color indicator for disinfection applications 埃科莱布美国股份有限公司 2021-12-17 CN claimed
CN-113713776-A Preparation method of ZIF-67-loaded wool fabric and application of wool fabric in printing and dyeing wastewater 天津工业大学 2021-11-30 CN claimed
EP-3906323-A2 METHOD FOR IDENTIFYING AGENTS CAPABLE OF INDUCING RESPIRATORY SENSITIZATION AND ARRAY AND ANALYTICAL KITS FOR USE IN THE METHOD SenzaGen AB (SE) 2021-11-10 EP claimed
US-5770552-A NONTOXIC, NONSTAINING, DISCOLORATION INHIBITION; BRIGHTNESS MILLIKEN RESEARCH CORPORATION (US) 1998-06-23 US claimed
US-5766268-A ALSO CONTAINING DYE, ELECTROPHILIC REACTIVE GROUP AND NUCLEOPHILIC LINKING GROUP MILLIKEN RESEARCH CORPORATION (US) 1998-06-16 US claimed
EP-0807268-A1 CROSSLINKED TINTED POLYMERS Novartis AG (CH) 1997-11-19 EP claimed
WO-1996024076-A1 CROSSLINKED TINTED POLYMERS NOVARTIS AG (CH) 1996-08-08 WO claimed
US-5242467-A REACTIVE DYE MIXTURES AND DYEING METHODS USING THEM: C.I. REACTIVE ORANGE NUMBERS 16 AND 7 HOECHST MITSUBISHI KASEI CO., LTD. (JP) 1993-09-07 US claimed
EP-0529502-A2 Reactive dye mixtures and dyeing methods using them DyStar Japan Ltd. (JP) 1993-03-03 EP claimed
EP-0057789-B1 AQUEOUS LIQUID DYE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-10 EP claimed
US-4439205-A Aqueous liquid dye composition: storage stable reactive dye with reduction inhibitor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-27 US claimed
US-4384868-A REACTIVE ORANGE DYE MIXTURE WITH A NAPHTHALENESULFONIC ACID-FORMALDEHYDE CONDENSATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-24 US claimed
EP-0057789-A1 Aqueous liquid dye composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-18 EP claimed