SCHEMBL15545004

SCHEMBL15545004

O=S(=O)([O-])OCCS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(Nc4nc(Cl)nc(Cl)n4)ccc3c2O)cc1.[Na+].[Na+]

nearest known ligand 0.71

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 18)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 2/20 0.58
▸ CA2 known ✓ P00918 1/20 0.36
▸ PRMT1 Q99873 3/20 0.71
▸ CARM1 Q86X55 1/20 0.71
▸ CD40 P25942 1/20 0.43
▸ CD40LG P29965 1/20 0.43
▸ ENPP2 Q13822 8/20 0.42
▸ PRMT3 O60678 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ FUT8 Q9BYC5 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ CA3 P07451 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PLEC Q15149 1/20 0.35

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
SCHEMBL15545001 1.00 PRMT1 (0.71) PRMT1CARM1THRBCD40CD40LG
SCHEMBL4166243 0.89 PRMT1 (0.61) PRMT1CARM1THRBCD40CD40LG
SCHEMBL3698096 0.89 PRMT1 (0.61) PRMT1CARM1THRBCD40CD40LG
SCHEMBL29770470 0.88 PRMT1 (0.61) PRMT1CARM1THRBCD40CD40LG
SCHEMBL27789115 0.86 PRMT1 (0.54) PRMT1CARM1THRBCD40CD40LG
SCHEMBL14388947 0.83 PRMT1 (0.53) PRMT1CARM1THRBCD40CD40LG
SCHEMBL29642565 0.82 THRB (0.56) PRMT1CARM1THRBENPP2FUT8
SCHEMBL14388852 0.82 PRMT1 (0.53) PRMT1CARM1THRBCD40CD40LG
SCHEMBL11671160 0.81 PRMT1 (0.68) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL14388920 0.79 FUT8 (0.54) PRMT1CARM1THRBCD40CD40LG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877538-B1 HOME FABRIC DYE PRODUCT HENKEL AG & CO KGAA (DE) 2017-09-06 — — EP claimed
EP-2877538-A1 HOME FABRIC DYE PRODUCT Punch Industries (IE) 2015-06-03 — — EP claimed
WO-2014006132-A1 HOME FABRIC DYE PRODUCT PUNCH INDUSTRIES (IE) 2014-01-09 — — WO claimed
EP-3390708-B1 CONSUMER UNIT FOR DYEING TEXTILE HENKEL AG & CO KGAA (DE) 2023-04-05 — — EP disclosed
EP-3390708-A1 CONSUMER UNIT FOR DYEING TEXTILE Henkel AG & Co. KGaA (DE) 2018-10-24 — — EP disclosed
EP-2877538-B1 HOME FABRIC DYE PRODUCT HENKEL AG & CO KGAA (DE) 2017-09-06 — — EP disclosed
WO-2017102314-A1 CONSUMER UNIT FOR DYEING TEXTILE HENKEL AG & CO. KGAA (DE) 2017-06-22 — — WO disclosed
EP-2877538-A1 HOME FABRIC DYE PRODUCT Punch Industries (IE) 2015-06-03 — — EP disclosed
WO-2014006132-A1 HOME FABRIC DYE PRODUCT PUNCH INDUSTRIES (IE) 2014-01-09 — — WO disclosed
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