SCHEMBL3816117

SCHEMBL3816117

O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.52

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 1/20 0.35
▸ PTGS1 known ✓ P23219 1/20 0.34
▸ DUSP5 Q16690 4/20 0.52
▸ PTPN1 P18031 3/20 0.43
▸ DUSP6 Q16828 1/20 0.43
▸ LMNA P02545 5/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ F11 P03951 1/20 0.38
▸ POLB P06746 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ PKM P14618 4/20 0.37
▸ NFKB1 P19838 4/20 0.37
▸ APEX1 P27695 4/20 0.37
▸ RECQL P46063 4/20 0.37
▸ P2RX1 P51575 4/20 0.37
▸ BLM P54132 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37

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
Potassium Ion SCHEMBL3817947 0.95 DUSP5 (0.47) DUSP5PTPN1DUSP6LMNATDP1
Lithium Ion SCHEMBL3826188 0.95 DUSP5 (0.47) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL6380334 0.86 DUSP5 (0.49) DUSP5PTPN1LMNATDP1F11
SCHEMBL30708661 0.86 DUSP5 (0.49) DUSP5PTPN1LMNATDP1F11
SCHEMBL8892659 0.86 DUSP5 (0.49) DUSP5PTPN1LMNATDP1F11
SCHEMBL5292700 0.83 DUSP5 (0.46) DUSP5PTPN1DUSP6LMNATDP1
Potassium Ion SCHEMBL6385050 0.82 DUSP5 (0.45) DUSP5PTPN1LMNATDP1F11
Naphthalene Trisulfonate SCHEMBL29381206 0.81 SIRT1 (0.47) DUSP5PTPN1DUSP6LMNATDP1
Naphthalene Trisulfonate SCHEMBL306175 0.81 SIRT1 (0.47) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL3826523 0.79 LMNA (0.47) DUSP5PTPN1DUSP6LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105477-A1 Method of forming inkjet image FUJIFILM Corporation (JP) 2009-09-30 — — EP disclosed
US-20090238973-A1 Method of forming inkjet image FUJIFILM CORPORATION (JP) 2009-09-24 — — US disclosed
US-3932366-A FROM AMINOCARBOXYLIC ACIDS AND TRIAMINES, FIBER REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 — — US disclosed
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