SCHEMBL1268489

SCHEMBL1268489

Cc1cc(C)c(/N=N/c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1C.[Na+].[Na+]

nearest known ligand 0.58

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 3/20 0.49
▸ P2RY4 known ✓ P51582 1/20 0.42
▸ P2RY6 known ✓ Q15077 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.58
▸ HIF1A Q16665 3/20 0.58
▸ PTPN1 P18031 4/20 0.57
▸ USP2 O75604 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TDP1 Q9NUW8 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ POLB P06746 1/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ PLEC Q15149 1/20 0.43
▸ SUMO2 P61956 1/20 0.43
▸ SUMO1 P63165 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP3 Q9H4L4 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
SCHEMBL29617554 1.00 ALDH1A1 (0.58) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL1268487 1.00 ALDH1A1 (0.58) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL29350187 0.89 ALDH1A1 (0.74) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL6846278 0.89 ALDH1A1 (0.74) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL9577820 0.85 HIF1A (0.53) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL29527953 0.84 ALDH1A1 (0.57) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL4579446 0.84 HIF1A (0.78) ALDH1A1HIF1APTPN1THRBTDP1
Amaranth SCHEMBL185413 0.81 THRB (0.72) ALDH1A1HIF1APTPN1USP2ATM
Amaranth SCHEMBL29352916 0.81 THRB (0.72) ALDH1A1HIF1APTPN1USP2ATM
Amaranth SCHEMBL8618995 0.81 THRB (0.72) ALDH1A1HIF1APTPN1USP2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO claimed
CN-112946140-A Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2021-06-11 — — 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
CN-102507798-B Method for rapidly screening high throughputs of 36 artificial synthetic pigments in food INSPECTION & QUARANTINE TECH CT OF FUJIAN ENTRY EXIT INSPECTION & QUARANTINE BUREAU 2013-09-11 — — CN claimed
EP-2544723-A2 COMPOSITIONS FOR COLON LAVAGE AND METHODS OF MAKING AND USING SAME Giuliani International Limited (IE) 2013-01-16 — — EP claimed
CN-102507798-A Method for rapidly screening high throughputs of 36 artificial synthetic pigments in food INSPECTION & QUARANTINE TECH CT OF FUJIAN ENTRY EXIT INSPECTION & QUARANTINE BUREAU 2012-06-20 — — CN claimed
WO-2011110347-A2 COMPOSITIONS FOR COLON LAVAGE AND METHODS OF MAKING AND USING SAME GIULIANI INTERNATIONAL LIMITED (IE) 2011-09-15 — — WO claimed
US-20100081728-A1 Mixable and color tone freely reproducible dental coloring material composition, and set and method thereof KABUSHIKI KAISHA SHOFU 2010-04-01 — — US claimed
US-20060275917-A1 Method for staining and destaining gel, electrophoresis destaining device for gel, and kit for staining and destaining gel THE LAB. OF BIO-INFORMATICS TECHNOLOGY (JP) 2006-12-07 — — US claimed
US-20060050946-A1 Computer-assisted cell analysis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 — — US claimed
EP-0263875-A4 MULTIPLE CONTROL STANDARD FOR BLOOD ANALYSIS. BIONOSTICS INC (US) 1989-11-07 — — EP claimed
US-4843013-A SYNTHETIC CONTROL SOLUTION FOR GAS INTRUMENTATION SYSTEM BIONOSTICS, INCORPORATED (US) 1989-06-27 — — US claimed
US-4753888-A MEASUREMENT OF ELECTROLYTES BIONOSTICS, INC. (US) 1988-06-28 — — US claimed
EP-0263875-A1 MULTIPLE CONTROL STANDARD FOR BLOOD ANALYSIS. BIONOSTICS INC (US) 1988-04-20 — — EP claimed
WO-1987006343-A1 MULTIPLE CONTROL STANDARD FOR BLOOD ANALYSIS BIONOSTICS, INC. (US) 1987-10-22 — — WO claimed
EP-0061444-B1 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS UNION OIL COMPANY OF CALIFORNIA (US) 1985-05-22 — — EP claimed
EP-0061444-A4 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS. UNION OIL CO (US) 1983-02-04 — — EP claimed
EP-0061444-A1 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS. UNION OIL CO (US) 1982-10-06 — — EP claimed
WO-1982001364-A1 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS UNION OIL CO (US) 1982-04-29 — — WO claimed
US-4283379-A WASHING SOLUTION OF SOLUBILIZED VANADIUM, WATER SOLUBLE NONQUINONE AROMATIC COMPOUNDS, THIOCYANATE IONS, AND A CARBOXYLATE COMPLEXING AGENT UNION OIL COMPANY OF CALIFORNIA (US) 1981-08-11 — — US claimed
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