SCHEMBL30129870

SCHEMBL30129870

NC([O-])=Nc1cc(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)CCOS(=O)(=O)O)c3)n2)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O.[Na+]

nearest known ligand 0.39

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 1/20 0.34
▸ CA12 known ✓ O43570 8/20 0.34
▸ CA1 known ✓ P00915 8/20 0.34
▸ CA2 known ✓ P00918 8/20 0.34
▸ P2RY2 known ✓ P41231 2/20 0.34
▸ P2RY4 known ✓ P51582 2/20 0.34
▸ P2RY6 known ✓ Q15077 1/20 0.34
▸ P2RY12 known ✓ Q9H244 1/20 0.34
▸ FUT8 Q9BYC5 1/20 0.39
▸ CHAT P28329 3/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA9 Q16790 8/20 0.34
▸ P2RY13 Q9BPV8 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ APEX1 P27695 1/20 0.33

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
SCHEMBL13880709 0.87 FUT8 (0.42) FUT8CHATENPP3ENPP1CARM1
SCHEMBL45600 0.82 FUT8 (0.44) FUT8CHATENPP3ENPP1CARM1
SCHEMBL14546977 0.81 CHAT (0.43) FUT8CHATENPP3ENPP1MEN1
SCHEMBL15985961 0.80 ENPP2 (0.48) FUT8CHATENPP3ENPP1CARM1
SCHEMBL13599477 0.78 CHAT (0.36) FUT8CHATENPP3ENPP1MEN1
SCHEMBL13340695 0.78 CHAT (0.36) FUT8CHATENPP3ENPP1MEN1
SCHEMBL16626824 0.78 FUT8 (0.46) FUT8CHATENPP3ENPP1CARM1
SCHEMBL29660719 0.77 CARM1 (0.41) FUT8CHATCARM1PRMT1MEN1
SCHEMBL16560632 0.77 FUT8 (0.51) FUT8CHATENPP3ENPP1PRMT1
SCHEMBL28606272 0.77 P2RY2 (0.40) FUT8CHATENPP3ENPP1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115162033-B Low-resource-consumption salt-free low-alkali reactive dye dyeing method 东华大学 2024-07-16 — — CN claimed
CN-115162033-A Low-resource-consumption salt-free low-alkali dyeing method for reactive dye 东华大学 2022-10-11 — — CN claimed
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
CN-116136068-B Reactive dye dyeing method for spandex textiles 武汉纺织大学 2025-03-21 — — CN disclosed
CN-115162033-B Low-resource-consumption salt-free low-alkali reactive dye dyeing method 东华大学 2024-07-16 — — CN disclosed
EP-4306600-A1 REACTIVE DYE COMPOSITION AND APPLICATION THEREOF Everlight Chemical Industrial Corporation (TW) 2024-01-17 — — EP disclosed
CN-116136068-A Reactive dye dyeing method for spandex textiles 武汉纺织大学 2023-05-19 — — CN disclosed
CN-113463409-B Reactive dye color paste for liquid paraffin non-aqueous medium dyeing, preparation method and application thereof 浙江理工大学 2023-01-31 — — CN disclosed
CN-115162033-A Low-resource-consumption salt-free low-alkali dyeing method for reactive dye 东华大学 2022-10-11 — — CN disclosed
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