SCHEMBL29678237

SCHEMBL29678237

CCOc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c([O-])ccc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)O)c45)c(C)c3)cc2C)cc1.[Na+].[Na+]

nearest known ligand 0.59

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 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ ALOX15 P16050 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PTPN1 P18031 4/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SUMO2 P61956 2/20 0.42
▸ SUMO1 P63165 2/20 0.42

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
SCHEMBL29482552 0.87 ALDH1A1 (0.78) ALDH1A1THRBHIF1ACYP3A4ALOX15
SCHEMBL29390387 0.87 MAPK1 (0.77) ALDH1A1THRBHIF1ACYP3A4ALOX15
SCHEMBL18084213 0.85 ALDH1A1 (0.60) ALDH1A1THRBHIF1ACYP3A4ALOX15
SCHEMBL18101484 0.78 CYP2C9 (0.61) ALDH1A1THRBHIF1ACYP3A4ALOX15
SCHEMBL29438532 0.78 APP (0.66) ALDH1A1THRBHIF1ACYP3A4ALOX15
Orange G SCHEMBL28776597 0.76 APP (0.68) ALDH1A1THRBHIF1ACYP3A4ALOX15
SCHEMBL29366607 0.74 THRB (1.00) ALDH1A1THRBHIF1ACYP3A4ALOX15
SCHEMBL14613548 0.67 ALDH1A1 (0.68) ALDH1A1THRBHIF1ACYP3A4ALOX15
SCHEMBL29637844 0.67 PTPN1 (0.81) ALDH1A1THRBHIF1ACYP3A4ALOX15
Trypan Blue Free Acid SCHEMBL31686853 0.65 PTPN1 (1.00) ALDH1A1THRBHIF1ACYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604790-A Laminate, optical article, lens, and glasses 株式会社德山 2025-03-11 — — CN disclosed
CN-119072504-A Curable composition, cured product, laminate, optical article, lens, and glasses 株式会社德山 2024-12-03 — — CN disclosed
US-20240209254-A1 OPTICAL ARTICLE, SPECTACLE LENS AND SPECTACLES TOKUYAMA CORPORATION (JP) 2024-06-27 — — US disclosed
US-20240100810-A1 RESIN COMPOSITION, OPTICAL LAMINATE, OPTICAL ARTICLE, LENS AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2024-03-28 — — US disclosed
EP-4328636-A1 OPTICAL ARTICLE, SPECTACLE LENS AND SPECTACLES Tokuyama Corporation (JP) 2024-02-28 — — EP disclosed
WO-2024018902-A1 LAYERED BODY, OPTICAL ARTICLE, LENS, AND SPECTACLES 株式会社トクヤマ 2024-01-25 — — WO disclosed
CN-117178209-A Optical article, spectacle lens and spectacles 株式会社德山 2023-12-05 — — CN disclosed
EP-4282932-A1 RESIN COMPOSITION, OPTICAL LAMINATE, OPTICAL ARTICLE, LENS, AND GLASSES Tokuyama Corporation (JP) 2023-11-29 — — EP disclosed
WO-2023210448-A1 CURABLE COMPOSITION, CURED BODY, LAMINATE, OPTICAL ARTICLE, LENS, AND SPECTACLES 株式会社トクヤマ 2023-11-02 — — WO disclosed
WO-2023210447-A1 METHOD FOR MANUFACTURING OPTICAL LAYERED SHEET AND METHOD FOR MANUFACTURING OPTICAL ARTICLE 株式会社トクヤマ 2023-11-02 — — WO disclosed
CN-116868095-A Resin composition, optical laminate, optical article, lens, and glasses 株式会社德山 2023-10-10 — — CN disclosed
WO-2023085051-A1 OPTICAL LAMINATED SHEET, OPTICAL ARTICLE, LENS, SPECTACLES, AND METHOD FOR MANUFACTURING OPTICAL LAMINATED SHEET 株式会社トクヤマ 2023-05-19 — — WO disclosed
CN-115768746-A Compound for optical material, curable composition, cured product, and optical article 株式会社德山 2023-03-07 — — CN disclosed
WO-2022224771-A1 OPTICAL ARTICLE, SPECTACLE LENS AND SPECTACLES 株式会社トクヤマ 2022-10-27 — — WO disclosed
CN-111727402-B Functional laminate and functional lens using same 株式会社德山 2022-07-15 — — CN disclosed
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