SCHEMBL29425680

SCHEMBL29425680

Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12.[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 3/20 0.52
▸ ENPP2 Q13822 3/20 0.61
▸ APEX1 P27695 2/20 0.60
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ GRK2 P25098 1/20 0.51
▸ PLEC Q15149 1/20 0.51
▸ APP P05067 1/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ DUSP5 Q16690 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPK1 P28482 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
SCHEMBL15153906 1.00 ENPP2 (0.61) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL29833871 0.91 MEN1 (0.61) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL590957 0.91 MEN1 (0.61) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL5859497 0.91 MEN1 (0.61) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL29595471 0.90 THRB (0.62) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL4627531 0.88 APEX1 (0.68) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL8819426 0.87 ENPP2 (0.78) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL10380130 0.87 ENPP2 (0.78) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL15153907 0.87 ENPP2 (0.78) ENPP2APEX1THRBMEN1KMT2A
SCHEMBL29702572 0.87 USP2 (0.62) ENPP2APEX1THRBMEN1KMT2A

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-4721858-A1 NUCLEIC ACID CONTAMINATION-FREE CARTRIDGE FOR STERILITY TESTING Sartorius Lab Instruments GmbH & Co. KG (DE) 2026-04-08 — — EP disclosed
US-11795340-B2 Compositon sensitive to UV-C radiation and UV-C sterilization or disinfection dosimeter TERRAGENE S.A. (AR) 2023-10-24 — — US disclosed
EP-4116712-A1 TEST STRIP Terumo Kabushiki Kaisha (JP) 2023-01-11 — — EP disclosed
US-20220390381-A1 TEST STRIP TERUMO KABUSHIKI KAISHA (JP) 2022-12-08 — — US disclosed
CN-114599961-A Test strip 泰尔茂株式会社 2022-06-07 — — CN disclosed
EP-3964554-A1 COMPOSITON SENSITIVE TO UV-C RADIATION AND UV-C STERILIZATION OR DISINFECTION DOSIMETER Terragene LLC (US) 2022-03-09 — — EP disclosed
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