SCHEMBL28343203

SCHEMBL28343203

CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)[O-])cc3)c(O)c12.[Na+].[Na+].[Na+]

nearest known ligand 0.52

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
▸ CA2 known ✓ P00918 1/20 0.51
▸ THRB known ✓ P10828 3/20 0.49
▸ USP2 O75604 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ENPP2 Q13822 3/20 0.52
▸ CA3 P07451 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GRK2 P25098 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PLEC Q15149 1/20 0.50
▸ APP P05067 1/20 0.47
▸ PRMT1 Q99873 4/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ CARM1 Q86X55 1/20 0.41
▸ AMY1A P0DUB6 2/20 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
SCHEMBL29460290 0.95 ENPP2 (0.54) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL29350172 0.95 ENPP2 (0.56) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL2121243 0.95 ENPP2 (0.56) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL2121238 0.95 ENPP2 (0.56) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL29534056 0.91 PTPN1 (0.48) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL29376132 0.87 THRB (0.45) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL14243598 0.87 THRB (0.45) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL14243597 0.87 THRB (0.45) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL4807909 0.86 PTPN1 (0.57) USP2PTPN1ATML3MBTL1ENPP2
SCHEMBL29377239 0.86 PTPN1 (0.57) USP2PTPN1ATML3MBTL1ENPP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119318944-B Solid phase extraction material and preparation method and application thereof 问度色谱科技(杭州)有限公司 2025-04-25 — — CN disclosed
CN-119657102-A Chromatographic packing and preparation method and application thereof 问度色谱科技(杭州)有限公司 2025-03-21 — — CN disclosed
CN-119318944-A Solid phase extraction material and preparation method and application thereof 问度色谱科技(杭州)有限公司 2025-01-17 — — CN disclosed
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 disclosed
CN-110702816-B Liquid chromatography-mass spectrometry detection method for detecting acidic azo colorant in dry animal aquatic product 江苏省食品药品监督检验研究院 2022-08-23 — — CN disclosed
CN-111184876-B Alimentary canal mucous membrane coloring agent, preparation method and application thereof 沈伟 2022-03-04 — — CN disclosed
CN-111184876-A Alimentary canal mucous membrane coloring agent, preparation method and application thereof 沈伟 2020-05-22 — — CN disclosed
CN-110702816-A Liquid chromatography-mass spectrometry detection method for detecting acidic azo colorant in dry animal aquatic product 江苏省食品药品监督检验研究院 2020-01-17 — — CN disclosed
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