SCHEMBL29709392

SCHEMBL29709392

Nc1cc(N)c(N=Nc2cccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c(N)cc3N)c2)cc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+]

nearest known ligand 0.51

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
▸ CA12 known ✓ O43570 4/20 0.47
▸ CA2 known ✓ P00918 4/20 0.47
▸ THRB known ✓ P10828 1/20 0.40
▸ SLC7A11 Q9UPY5 3/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ PLCG1 P19174 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ APP P05067 1/20 0.45
▸ GLB1 P16278 1/20 0.45
▸ CHAT P28329 1/20 0.45
▸ ENPP2 Q13822 1/20 0.45
▸ CTRC Q99895 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GLO1 Q04760 2/20 0.43
▸ SENP3 Q9H4L4 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
SCHEMBL29963642 0.85 PHLPP2 (0.62) PHLPP2CA12CA2CA9MEN1
SCHEMBL28222655 0.84 MAPT (0.57) SLC7A11PHLPP2PLCG1MEN1MAPT
SCHEMBL19970680 0.82 MAPT (0.59) SLC7A11PHLPP2PLCG1MEN1MAPT
SCHEMBL29373031 0.78 PHLPP2 (0.60) SLC7A11PHLPP2CA2PLCG1MEN1
SCHEMBL4881910 0.75 SLC7A11 (0.52) SLC7A11PHLPP2CA12CA2CA9
SCHEMBL339834 0.75 SLC7A11 (0.52) SLC7A11PHLPP2CA12CA2CA9
SCHEMBL28233501 0.75 POLB (0.64) SLC7A11PHLPP2CA12CA2CA9
SCHEMBL11202850 0.74 PTGS1 (0.53) SLC7A11PHLPP2CA12CA2CA9
SCHEMBL11200690 0.74 CA12 (0.51) SLC7A11PHLPP2CA12CA2CA9
SCHEMBL11202854 0.74 PTGS1 (0.53) SLC7A11PHLPP2CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4606845-A1 POLYVINYL ALCOHOL FILM AND STRETCHED FILM Kuraray Co., Ltd. (JP) 2025-08-27 — — EP disclosed
CN-114829488-B Polyvinyl alcohol film 株式会社可乐丽 2025-03-14 — — CN disclosed
EP-3779536-B1 POLY(VINYL ALCOHOL) FILM AND PRODUCTION METHOD FOR POLARIZING FILM SEKISUI CHEMICAL CO LTD (JP) 2025-01-29 — — EP disclosed
CN-119384620-A Polarizing plate, thermoformed body, and method for producing thermoformed body 株式会社可乐丽 2025-01-28 — — CN disclosed
CN-114829489-B Polyvinyl alcohol film and method for producing polarizing film using same 株式会社可乐丽 2024-12-10 — — CN disclosed
US-20240361506-A1 POLARIZING PLATE, HEAT FORMED BODY FORMED THEREOF, AND HEAT FORMED BODY MANUFACTURING METHOD KURARAY CO., LTD. (JP) 2024-10-31 — — US disclosed
CN-115612699-B Copolymer membrane, and enzymatic self-assembly synthesis method and application thereof in gas-liquid interface 中国科学院天津工业生物技术研究所 2024-10-25 — — CN disclosed
US-12084552-B2 Poly(vinyl alcohol) film and production method for polarizing film SEKISUI CHEMICAL CO., LTD. (JP) 2024-09-10 — — US disclosed
CN-115210302-B Method for producing polyvinyl alcohol film 株式会社可乐丽 2024-08-30 — — CN disclosed
CN-114761200-B Method for producing polyvinyl alcohol film for optical use 株式会社可乐丽 2024-08-09 — — CN disclosed
CN-115612699-A Copolymer membrane and enzymatic self-assembly synthesis method and application thereof at gas-liquid interface 中国科学院天津工业生物技术研究所 2023-01-17 — — CN disclosed
WO-2023277025-A1 POLARIZING PLATE, HEAT FORMED BODY FORMED THEREOF, AND HEAT FORMED BODY MANUFACTURING METHOD 株式会社クラレ 2023-01-05 — — WO disclosed
CN-112740085-B Polyvinyl alcohol film and method for producing polarizing film using same 株式会社可乐丽 2022-12-13 — — CN disclosed
CN-111919148-B Polyvinyl alcohol film and method for producing polarizing film 积水化学工业株式会社 2022-12-06 — — CN disclosed
CN-111868584-B Polyvinyl alcohol film and method for producing polarizing film 积水化学工业株式会社 2022-11-18 — — CN disclosed
CN-112505818-B Polyvinyl alcohol polymer film 株式会社可乐丽 2022-09-16 — — CN disclosed
CN-111405972-B Polyvinyl alcohol film and method for producing same 株式会社可乐丽 2022-09-02 — — CN disclosed
CN-114829489-A Polyvinyl alcohol film and method for producing polarizing film using same 株式会社可乐丽 2022-07-29 — — CN disclosed
CN-114829488-A Polyvinyl alcohol film 株式会社可乐丽 2022-07-29 — — CN disclosed
CN-114761200-A Method for producing optical polyvinyl alcohol film 株式会社可乐丽 2022-07-15 — — CN disclosed
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