SCHEMBL6234639

SCHEMBL6234639

O=S(=O)([O-])c1ccc2c(N=Nc3ccccc3S(=O)(=O)[O-])c(O)ccc2c1.[Na+].[Na+]

nearest known ligand 0.67

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 0.67
▸ PTPN1 P18031 3/20 0.65
▸ CYP1A2 P05177 3/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PTPRA P18433 1/20 0.61
▸ PTPRB P23467 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ RAPGEF4 Q8WZA2 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ APP P05067 1/20 0.55
▸ MPL P40238 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CTRC Q99895 1/20 0.49
▸ APEX1 P27695 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 2/20 0.46

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
SCHEMBL29366329 0.88 THRB (0.65) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL933793 0.85 CYP1A2 (0.78) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL933792 0.85 CYP1A2 (0.78) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL16325032 0.84 THRB (0.62) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL20271507 0.84 CYP1A2 (0.76) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL9343017 0.84 THRB (0.85) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL29394731 0.84 THRB (0.85) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL755171 0.84 THRB (0.85) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL18862897 0.81 THRB (0.62) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL2304218 0.81 CYP1A2 (0.61) THRBPTPN1CYP1A2CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007527-A1 METHOD OF PROTECTING LIGHT SENSITIVE OPTICAL ARTICLE GENERAL ELECTRIC COMPANY (US) 2005-01-27 — — WO disclosed
US-20050005285-A1 Method of protecting light sensitive optical article GENERAL ELECTRIC COMPANY 2005-01-06 — — US disclosed
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