SCHEMBL7098520

SCHEMBL7098520

Nc1ccc(S(=O)(=O)O)c(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.49

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 0.40
P2RY12 known ✓ Q9H244 1/20 0.40
PTGS1 known ✓ P23219 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.49
ALDH1A1 P00352 8/20 0.47
NT5E P21589 3/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 4/20 0.46
CASP6 P55212 4/20 0.46
RECQL P46063 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
APEX1 P27695 2/20 0.46
NSD2 O96028 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MEN1 O00255 1/20 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
SCHEMBL29707118 0.92 RAPGEF4 (0.49) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL7098523 0.88 L3MBTL1 (0.45) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL7511717 0.86 RAPGEF4 (0.56) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL7099533 0.84 RAPGEF4 (0.55) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL5858436 0.81 RAD51 (0.50) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL14576109 0.78 PTGS1 (0.60) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL602280 0.78 P2RY12 (0.46) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL29575161 0.78 TSHR (0.44) RAPGEF4ALDH1A1NT5ETSHRTDP1
SCHEMBL3396550 0.78 L3MBTL1 (0.44) ALDH1A1NT5ETSHRTDP1RECQL
SCHEMBL29386214 0.78 L3MBTL1 (0.44) ALDH1A1NT5ETSHRTDP1RECQL

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
EP-1113053-B1 Ink jet printing method EASTMAN KODAK CO (US) 2003-09-10 EP claimed
EP-1113052-B1 Additive for ink jet ink EASTMAN KODAK CO (US) 2003-09-10 EP claimed