SCHEMBL186094

SCHEMBL186094

Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3)c(O)c12.[Na+].[Na+]

nearest known ligand 0.66

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 2/20 0.54
▸ USP2 O75604 1/20 0.66
▸ PTPN1 P18031 1/20 0.66
▸ ATM Q13315 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ APP P05067 1/20 0.60
▸ PHLPP2 Q6ZVD8 2/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ GRK2 P25098 1/20 0.53
▸ PLEC Q15149 1/20 0.53
▸ ENPP2 Q13822 7/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ APEX1 P27695 2/20 0.45
▸ SUMO2 P61956 1/20 0.43
▸ SUMO1 P63165 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP2 Q9HC62 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
SCHEMBL4806483 1.00 USP2 (0.66) USP2PTPN1ATML3MBTL1APP
SCHEMBL29354476 1.00 USP2 (0.66) USP2PTPN1ATML3MBTL1APP
SCHEMBL29694157 0.98 USP2 (0.63) USP2PTPN1ATML3MBTL1APP
SCHEMBL19513948 0.93 PHLPP2 (0.62) USP2PTPN1ATML3MBTL1APP
SCHEMBL6846208 0.92 USP2 (0.74) USP2PTPN1ATML3MBTL1APP
SCHEMBL29358440 0.92 USP2 (0.74) USP2PTPN1ATML3MBTL1APP
SCHEMBL5859446 0.88 POLB (0.66) USP2PTPN1ATML3MBTL1APP
SCHEMBL29538678 0.88 POLB (0.66) USP2PTPN1ATML3MBTL1APP
SCHEMBL287038 0.88 POLB (0.66) USP2PTPN1ATML3MBTL1APP
SCHEMBL29702572 0.87 USP2 (0.62) USP2PTPN1ATML3MBTL1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3876897-B1 RED COLORANT FREE OF COCHINEAL RED AND COMPOSITIONS COMPRISING THE SAME UNILEVER GLOBAL IP LTD (GB) 2023-12-20 — — EP claimed
US-20220000741-A1 RED COLORANT FREE OF COCHINEAL RED AND COMPOSITIONS COMPRISING THE SAME CONOPCO, INC., D/B/A UNILEVER (US) 2022-01-06 — — US claimed
EP-3876897-A1 RED COLORANT FREE OF COCHINEAL RED AND COMPOSITIONS COMPRISING THE SAME UNILEVER GLOBAL IP LIMITED (GB) 2021-09-15 — — EP claimed
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 — — EP claimed
US-12409109-B2 Dry mixture and personal care composition as well as methods for their production WEIDMANN HOLDING AG (CH) 2025-09-09 — — US disclosed
US-20240382389-A1 DRY MIXTURE AND PERSONAL CARE COMPOSITION AS WELL AS METHODS FOR THEIR PRODUCTION WEIDMANN HOLDING AG (CH) 2024-11-21 — — US disclosed
US-11998302-B2 Thermographic device for measurement of differential temperatures in tissue WELWAZE MEDICAL INC. (US) 2024-06-04 — — US disclosed
EP-3229918-B1 COMPOSITION AND PROCEDURE FOR TREATING KERATINIC FIBERS WITH FLASH EVAPORATION HENKEL AG & CO KGAA (DE) 2024-03-13 — — EP disclosed
EP-3876897-B1 RED COLORANT FREE OF COCHINEAL RED AND COMPOSITIONS COMPRISING THE SAME UNILEVER GLOBAL IP LTD (GB) 2023-12-20 — — EP disclosed
WO-2023228870-A1 COMPOSITION FOR COLORING KERATIN FIBERS L'OREAL (FR) 2023-11-30 — — WO disclosed
CN-117084953-A Hair care or hair cleaning composition or skin care or skin cleaning composition 魏德曼控股股份公司 2023-11-21 — — CN disclosed
EP-4265237-A1 HAIR CARE OR HAIR CLEANSING OR SKIN CARE OR SKIN CLEANSING COMPOSITION Weidmann Holding AG (CH) 2023-10-25 — — EP disclosed
US-6171347-B1 REMOVAL OF HAIR COLOR TO BE WORN FOR ONLY A SHORT PERIOD OF TIME UNDER MILD, GENTLE CONDITIONS BY USING A COMBINATION OF A SUITABLE REDUCTONE, SUCH AS ASCORBIC ACID, AND/OR A THIOL AND/OR A SULFITE WELLA AKTIENGESELLSCHAFT (DE) 2001-01-09 — — US disclosed
US-6146429-A DEVELOPER, COUPLER, BEESWAX AND PROTEIN HYDROLYZATES OR AMINO ACIDS WELLA AKTIENGESELLSCHAFT (DE) 2000-11-14 — — US disclosed
US-6106579-A MIXTURE OF OXOCARBOXYLIC ACID AND REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2000-08-22 — — US disclosed
US-5865855-A COUPLING TWO PYRAZOLE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1999-02-02 — — US disclosed
EP-0229191-B1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1993-06-02 — — EP disclosed
US-4855133-A Composition for attracting flies EARTH CHEMICAL COMPANY, LIMITED (JP) 1989-08-08 — — US disclosed
CN-86108161-A Fly attracting composition — 1988-06-08 — — CN disclosed
EP-0229191-A1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1987-07-22 — — EP disclosed
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