SCHEMBL29568770

SCHEMBL29568770

Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c56)cc4)cc3)cc2)cc1.[Na+].[Na+]

nearest known ligand 0.86

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 0.86
▸ CA12 known ✓ O43570 2/20 0.40
▸ CA2 known ✓ P00918 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.86
▸ CYP3A4 P08684 1/20 0.86
▸ ALOX15 P16050 1/20 0.86
▸ ALOX12 P18054 1/20 0.86
▸ MAPK1 P28482 1/20 0.86
▸ RECQL P46063 1/20 0.86
▸ SMN1; SMN2 Q16637 1/20 0.86
▸ HIF1A Q16665 1/20 0.86
▸ HSD17B10 Q99714 1/20 0.86
▸ TDP1 Q9NUW8 1/20 0.86
▸ APP P05067 1/20 0.63
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATIC P31939 1/20 0.41
▸ PTPN1 P18031 3/20 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
SCHEMBL29366607 0.93 THRB (1.00) THRBALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL29637843 0.91 THRB (0.85) THRBALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL29438532 0.84 APP (0.66) THRBALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL29482552 0.79 ALDH1A1 (0.78) THRBALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL185277 0.79 APP (0.98) THRBALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL29390387 0.78 MAPK1 (0.77) THRBALDH1A1CYP3A4ALOX15ALOX12
Orange G SCHEMBL29369740 0.78 APP (1.00) THRBALDH1A1CYP3A4ALOX15ALOX12
Orange G SCHEMBL3873344 0.78 APP (1.00) THRBALDH1A1CYP3A4ALOX15ALOX12
Orange G SCHEMBL81967 0.78 APP (1.00) THRBALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL16566668 0.77 THRB (0.55) THRBALDH1A1CYP3A4ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250290249-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-18 — — US disclosed
EP-4617076-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-17 — — EP disclosed
WO-2024262330-A1 METHOD FOR MANUFACTURING OPTICAL LAMINATE 日東電工株式会社 2024-12-26 — — WO disclosed
WO-2024247803-A1 METHOD FOR MANUFACTURING OPTICAL FILM PIECES, AND METHOD FOR CUTTING OPTICAL FILM 日東電工株式会社 2024-12-05 — — WO disclosed
CN-119013606-A Optical laminate, lens unit, and display method 日东电工株式会社 2024-11-22 — — CN disclosed
CN-115538196-B High-color-fastness polyamide 56 fabric and color fixing method thereof 上海凯赛生物技术股份有限公司 2024-02-23 — — CN disclosed
WO-2023176632-A1 OPTICAL LAMINATE, LENS, AND DISPLAY METHOD 日東電工株式会社 2023-09-21 — — WO disclosed
CN-116577861-A Polarizing material, polarizing plate, and method for producing polarizing material 日东电工株式会社 2023-08-11 — — CN disclosed
CN-116577860-A Optical laminate 日东电工株式会社 2023-08-11 — — CN disclosed
CN-115260827-B Colorant suitable for water-based ink, preparation method of colorant and water-based ink containing colorant 中国科学院理化技术研究所 2023-05-12 — — CN disclosed
CN-115538196-A High-color-fastness polyamide 56 fabric and color fixing method thereof 上海凯赛生物技术股份有限公司 2022-12-30 — — CN disclosed
CN-115260827-A Colorant suitable for water-based ink, preparation method thereof and water-based ink containing colorant 中国科学院理化技术研究所 2022-11-01 — — CN disclosed
EP-3418444-B1 ACID DYEING OF POLYURETHANE MATERIALS NIKE INNOVATE CV (US) 2022-08-17 — — EP disclosed
EP-3978555-A1 METHOD FOR TREATING SURFACES OF PLASTIC ITEMS DyeMansion GmbH (DE) 2022-04-06 — — EP disclosed
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