SCHEMBL29438532

SCHEMBL29438532

CCOc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(O)ccc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)cc3)cc2)cc1.[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 3/20 0.63
▸ APP P05067 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ ALOX12 P18054 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ PTPN1 P18031 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ SUMO2 P61956 1/20 0.40
▸ SUMO1 P63165 1/20 0.40

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
SCHEMBL29390387 0.91 MAPK1 (0.77) APPTHRBALDH1A1MAPK1TDP1
SCHEMBL29568770 0.84 THRB (0.86) APPTHRBALDH1A1MAPK1TDP1
SCHEMBL185277 0.81 APP (0.98) APPTHRBALDH1A1MAPK1TDP1
Orange G SCHEMBL81967 0.80 APP (1.00) APPTHRBALDH1A1MAPK1TDP1
Orange G SCHEMBL3873344 0.80 APP (1.00) APPTHRBALDH1A1MAPK1TDP1
Orange G SCHEMBL29369740 0.80 APP (1.00) APPTHRBALDH1A1MAPK1TDP1
SCHEMBL18084213 0.78 ALDH1A1 (0.60) APPTHRBALDH1A1MAPK1TDP1
SCHEMBL29366607 0.78 THRB (1.00) APPTHRBALDH1A1MAPK1TDP1
SCHEMBL29678237 0.78 ALDH1A1 (0.59) APPTHRBALDH1A1MAPK1TDP1
SCHEMBL29637843 0.76 THRB (0.85) APPTHRBALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122061364-A Cotton fiber direct dye water-less dyeing method based on electrostatic spinning technology 青岛大学 2026-05-19 — — CN claimed
CN-118007447-A Green non-aqueous medium dyeing antibacterial short-process technology for textile 安徽工程大学 2024-05-10 — — CN claimed
CN-117988111-A Preparation method of anti-fading antibacterial fabric 孔祥文 2024-05-07 — — CN claimed
CN-116531268-A Single-agent type after-dyeing complementary color sulfate-free shampoo 广州市芊彩化妆品有限公司 2023-08-04 — — CN claimed
CN-114502683-A Carbon adhesive composition for eyelashes or grafted eyelashes 拉什菲股份有限公司 2022-05-13 — — CN claimed
CN-110258144-B Dyeing and finishing method for improving fabric color fastness 安徽恒益纺织科技有限公司 2022-04-19 — — CN claimed
CN-111485436-B Printing and dyeing process of high-color-fastness silk fabric 南通大学 2022-03-11 — — CN claimed
CN-114134730-A One-bath dyeing method for polyester-cotton knitted fabric 江苏泰慕士针纺科技股份有限公司 2022-03-04 — — CN claimed
CN-122061364-A Cotton fiber direct dye water-less dyeing method based on electrostatic spinning technology 青岛大学 2026-05-19 — — CN disclosed
US-12498372-B2 Biomarker for detecting cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-12-16 — — US disclosed
EP-4324965-B1 ALGINATE FIBER AND PREPARATION METHOD THEREFOR UNIV QINGDAO (CN) 2025-10-01 — — EP disclosed
US-20250264455-A1 GENETICALLY CONTROLLED NANOSCOPY CONTRAST-GENERATING UNITS, GENETICALLY CONTROLLED STRUCTURAL ELEMENTS, GENETICALLY CONTROLLED SCAFFOLDS, NANOBIOMATERIAL BASED THEREON, AND USE THEREOF IN NANOSOCOPY METHODS WESTMEYER GIL GREGOR (DE) 2025-08-21 — — US disclosed
US-12366012-B2 Alginate fiber and preparation method thereof QINGDAO UNIVERSITY (CN) 2025-07-22 — — US disclosed
CN-112198220-B Gas sensor and method of sensing a gas phase analyte 杜邦电子材料国际有限责任公司 2025-05-09 — — CN disclosed
CN-114502683-A Carbon adhesive composition for eyelashes or grafted eyelashes 拉什菲股份有限公司 2022-05-13 — — CN disclosed
CN-113265177-B Color paste for color filter 浙江纳美新材料股份有限公司 2022-04-26 — — CN disclosed
CN-110258144-B Dyeing and finishing method for improving fabric color fastness 安徽恒益纺织科技有限公司 2022-04-19 — — CN disclosed
CN-113249823-B Alginate fiber and preparation method thereof 青岛大学 2022-03-18 — — CN disclosed
CN-114134730-A One-bath dyeing method for polyester-cotton knitted fabric 江苏泰慕士针纺科技股份有限公司 2022-03-04 — — CN disclosed
CN-111961633-B Acinetobacter with hexavalent chromium removal and decoloration functions, separation and purification method and application 闽江学院 2022-02-18 — — CN disclosed
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