SCHEMBL31511329

SCHEMBL31511329

O=S(=O)([O-])c1ccc(N=Nc2c(O)ccc3cccc(S(=O)(=O)[O-])c23)c2ccccc12.[Na+].[Na+]

nearest known ligand 0.56

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 0.56
▸ MAPK1 P28482 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ APP P05067 1/20 0.52
▸ CTRB1 P17538 1/20 0.50
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PTPRA P18433 1/20 0.49
▸ PTPRB P23467 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ RAPGEF4 Q8WZA2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MPL P40238 3/20 0.46
▸ CTRC Q99895 2/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ DUSP5 Q16690 2/20 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
SCHEMBL29716528 0.89 CYP1A2 (0.62) THRBMAPK1ALDH1A1CTRB1CYP1A2
SCHEMBL10621003 0.89 CYP1A2 (0.62) THRBMAPK1ALDH1A1CTRB1CYP1A2
SCHEMBL9577791 0.89 THRB (0.60) THRBMAPK1ALDH1A1CTRB1CYP1A2
SCHEMBL9577785 0.89 THRB (0.60) THRBMAPK1ALDH1A1CTRB1CYP1A2
SCHEMBL29357249 0.89 THRB (0.60) THRBMAPK1ALDH1A1CTRB1CYP1A2
SCHEMBL3345999 0.86 MAPK1 (0.65) THRBMAPK1ALDH1A1CTRB1CYP1A2
SCHEMBL29353967 0.86 APP (0.72) THRBMAPK1ALDH1A1APPCTRB1
SCHEMBL93701 0.86 APP (0.72) THRBMAPK1ALDH1A1APPCTRB1
SCHEMBL93700 0.86 APP (0.72) THRBMAPK1ALDH1A1APPCTRB1
SCHEMBL29912825 0.84 APP (0.69) THRBMAPK1ALDH1A1APPCTRB1

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-2025133616-A1 CONJUGATED POLYMER NANOPARTICLE BIOSENSORS STREAM BIO LTD (GB) 2025-06-26 — — WO disclosed
WO-2025065344-A1 ANTENNA, USER EQUIPMENT, WINDOW AND VEHICLE GOERTEK INC. (CN) 2025-04-03 — — WO disclosed
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