SCHEMBL29833871

SCHEMBL29833871

O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c3c2O)cc1.[Na+].[Na+]

nearest known ligand 0.61

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 2/20 0.48
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ GRK2 P25098 1/20 0.61
▸ PLEC Q15149 1/20 0.61
▸ APEX1 P27695 2/20 0.57
▸ ENPP2 Q13822 3/20 0.57
▸ APP P05067 1/20 0.50
▸ PTPN1 P18031 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PRMT1 Q99873 1/20 0.46
▸ DUSP5 Q16690 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL5859497 1.00 MEN1 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL590957 1.00 MEN1 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29425680 0.91 ENPP2 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL15153906 0.91 ENPP2 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29396086 0.90 MEN1 (0.70) MEN1KMT2APOLBGRK2PLEC
SCHEMBL7558820 0.90 MEN1 (0.70) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29702572 0.89 USP2 (0.62) MEN1KMT2APOLBGRK2PLEC
SCHEMBL11791648 0.86 MEN1 (0.66) MEN1KMT2APOLBGRK2PLEC
SCHEMBL11791659 0.86 MEN1 (0.66) MEN1KMT2APOLBGRK2PLEC
SCHEMBL5859446 0.86 POLB (0.66) MEN1KMT2APOLBGRK2PLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688650-A1 A COMPOSITE COMPRISING CARBON NANOTUBES AND USES THEREOF AS A CATHODE Yeda Research and Development Co. Ltd (IL) 2026-02-11 — — EP disclosed
US-20240367979-A1 A NONCOVALENT HYBRID COMPRISING CARBON NANOTUBES (CNT) AND AROMATIC COMPOUNDS AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-11-07 — — US disclosed
WO-2024201466-A1 A COMPOSITE COMPRISING CARBON NANOTUBES AND USES THEREOF AS A CATHODE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-10-03 — — WO disclosed
WO-2024028873-A1 TRANSPARENT ELECTRODES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-02-08 — — WO disclosed
EP-4288384-A1 A NONCOVALENT HYBRID COMPRISING CARBON NANOTUBES (CNT) AND AROMATIC COMPOUNDS AND USES THEREOF Yeda Research and Development Co. Ltd (IL) 2023-12-13 — — EP disclosed
WO-2022168092-A1 A NONCOVALENT HYBRID COMPRISING CARBON NANOTUBES (CNT) AND AROMATIC COMPOUNDS AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-08-11 — — WO disclosed
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