SCHEMBL29438530

SCHEMBL29438530

Cc1cc(C)cc(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)c1.[Na+]

nearest known ligand 0.77

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 5/20 0.77
▸ CYP1A2 P05177 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ PTPN1 P18031 2/20 0.60
▸ APP P05067 1/20 0.50
▸ HIF1A Q16665 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTPRA P18433 1/20 0.47
▸ PTPRB P23467 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAPGEF4 Q8WZA2 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GLO1 Q04760 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MPL P40238 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
SCHEMBL30341067 0.90 THRB (0.85) THRBCYP1A2CYP2C9PTPN1APP
E110 SCHEMBL29350765 0.87 THRB (1.00) THRBCYP1A2CYP2C9PTPN1APP
E110 SCHEMBL13276157 0.87 THRB (1.00) THRBCYP1A2CYP2C9PTPN1APP
E110 SCHEMBL142458 0.87 THRB (1.00) THRBCYP1A2CYP2C9PTPN1APP
E110 SCHEMBL323402 0.87 THRB (1.00) THRBCYP1A2CYP2C9PTPN1APP
SCHEMBL9343017 0.85 THRB (0.85) THRBCYP1A2CYP2C9PTPN1APP
SCHEMBL29394731 0.85 THRB (0.85) THRBCYP1A2CYP2C9PTPN1APP
SCHEMBL755171 0.85 THRB (0.85) THRBCYP1A2CYP2C9PTPN1APP
SCHEMBL12760915 0.84 THRB (0.95) THRBCYP1A2CYP2C9PTPN1APP
SCHEMBL1507664 0.84 THRB (0.79) THRBCYP1A2CYP2C9PTPN1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117888376-A Energy-saving and low-loss printing and dyeing process of cotton fiber textile fabric 安徽颍育精致纺织科技有限公司 2024-04-16 — — CN claimed
CN-115679691-B Environment-friendly printing and dyeing process for cotton woven fabric 绍兴南鹰纺织印染有限公司 2023-08-18 — — CN claimed
CN-112946140-B 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) 2023-03-21 — — CN claimed
CN-115679691-A Environment-friendly printing and dyeing process of cotton woven fabric 绍兴南鹰纺织印染有限公司 2023-02-03 — — CN claimed
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-114790254-A Preparation method and application of guanidine compound color fixing agent 盐城工学院 2022-07-26 — — CN claimed
CN-110878480-B Active ink for digital printing and preparation method thereof 浙江工业大学 2022-06-21 — — CN claimed
CN-110067141-B Active ink for digital printing 浙江海印数码科技有限公司 2022-04-08 — — 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-119390539-A Reaction process for 2-naphthol acidification section by using dynamic tubular reactor 唐山宝翔化工产品有限公司 2025-02-07 — — CN disclosed
CN-117888376-A Energy-saving and low-loss printing and dyeing process of cotton fiber textile fabric 安徽颍育精致纺织科技有限公司 2024-04-16 — — CN disclosed
CN-115709102-B Bimetallic nickel ruthenium catalyst and preparation method and application thereof 榆林中科洁净能源创新研究院 2024-02-27 — — CN disclosed
CN-115679691-B Environment-friendly printing and dyeing process for cotton woven fabric 绍兴南鹰纺织印染有限公司 2023-08-18 — — CN disclosed
CN-116588977-A Preparation method and application of green rust 中国特种设备检测研究院 2023-08-15 — — 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-114790254-A Preparation method and application of guanidine compound color fixing agent 盐城工学院 2022-07-26 — — CN disclosed
CN-114702837-A High-performance high-storage-stability orange and red reactive dye and preparation method thereof 南京晓庄学院 2022-07-05 — — CN disclosed
CN-110878480-B Active ink for digital printing and preparation method thereof 浙江工业大学 2022-06-21 — — CN disclosed
CN-110067141-B Active ink for digital printing 浙江海印数码科技有限公司 2022-04-08 — — CN disclosed
CN-111485436-B Printing and dyeing process of high-color-fastness silk fabric 南通大学 2022-03-11 — — CN disclosed
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