SCHEMBL7098523

SCHEMBL7098523

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

nearest known ligand 0.45

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
P2RY12 known ✓ Q9H244 1/20 0.43
CA12 known ✓ O43570 2/20 0.39
CA1 known ✓ P00915 2/20 0.39
CA2 known ✓ P00918 2/20 0.39
CA4 known ✓ P22748 1/20 0.39
PTGS1 known ✓ P23219 1/20 0.36
THRB known ✓ P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
HTR6 P50406 2/20 0.41
MPO P05164 1/20 0.41
CYP2C9 P11712 1/20 0.41
AGO2 Q9UKV8 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
USP2 O75604 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL7098520 0.88 RAPGEF4 (0.49) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL29707118 0.88 RAPGEF4 (0.49) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL10487048 0.84 TSHR (0.44) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL3396550 0.84 L3MBTL1 (0.44) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL29575161 0.84 TSHR (0.44) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL602280 0.84 P2RY12 (0.46) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL29386214 0.84 L3MBTL1 (0.44) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL30530585 0.81 L3MBTL1 (0.41) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL14989104 0.81 L3MBTL1 (0.66) L3MBTL1P2RY12TSHRLMNACYP3A4
SCHEMBL14576109 0.81 PTGS1 (0.60) L3MBTL1P2RY12TSHRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113052-B1 Additive for ink jet ink EASTMAN KODAK CO (US) 2003-09-10 EP claimed
EP-1113053-B1 Ink jet printing method EASTMAN KODAK CO (US) 2003-09-10 EP claimed
US-6350028-B1 IMPROVED DRY TIME; WATER; AROMATIC SULFONATE OR DISULFONATE; PIGMENT; POLYHYDRIC ALCOHOL HUMECTANT EASTMAN KODAK COMPANY 2002-02-26 US claimed
EP-1113052-A1 Additive for ink jet ink EASTMAN KODAK COMPANY (US) 2001-07-04 EP claimed
EP-1113053-A1 Ink jet printing method EASTMAN KODAK COMPANY (US) 2001-07-04 EP claimed
US-6248163-B1 SODIUM P-TOLUENESULFONATE, DISODIUM 2,5-DIHYDROXYBENZENEDISULFONATE MONOHYDRATE, SODIUM P-HYDROXYBENZENESULFONATE OR SODIUM P-AMINOBENZENEDISULFONATE, AND A POLYHYDRIC ALCOHOLAS A HUMECTANT. EASTMAN KODAK COMPANY 2001-06-19 US claimed
EP-1113053-B1 Ink jet printing method EASTMAN KODAK CO (US) 2003-09-10 EP disclosed
EP-1113052-B1 Additive for ink jet ink EASTMAN KODAK CO (US) 2003-09-10 EP disclosed
US-6350028-B1 IMPROVED DRY TIME; WATER; AROMATIC SULFONATE OR DISULFONATE; PIGMENT; POLYHYDRIC ALCOHOL HUMECTANT EASTMAN KODAK COMPANY 2002-02-26 US disclosed
US-6350028-B1 IMPROVED DRY TIME; WATER; AROMATIC SULFONATE OR DISULFONATE; PIGMENT; POLYHYDRIC ALCOHOL HUMECTANT EASTMAN KODAK COMPANY 2002-02-26 US disclosed
JP-2001234100-A METHOD FOR INK JET PRINTING EASTMAN KODAK CO 2001-08-28 JP disclosed
EP-1113053-A1 Ink jet printing method EASTMAN KODAK COMPANY (US) 2001-07-04 EP disclosed
EP-1113052-A1 Additive for ink jet ink EASTMAN KODAK COMPANY (US) 2001-07-04 EP disclosed
EP-1113053-A1 Ink jet printing method EASTMAN KODAK COMPANY (US) 2001-07-04 EP disclosed
EP-1113052-A1 Additive for ink jet ink EASTMAN KODAK COMPANY (US) 2001-07-04 EP disclosed
US-6248163-B1 SODIUM P-TOLUENESULFONATE, DISODIUM 2,5-DIHYDROXYBENZENEDISULFONATE MONOHYDRATE, SODIUM P-HYDROXYBENZENESULFONATE OR SODIUM P-AMINOBENZENEDISULFONATE, AND A POLYHYDRIC ALCOHOLAS A HUMECTANT. EASTMAN KODAK COMPANY 2001-06-19 US disclosed
US-6248163-B1 SODIUM P-TOLUENESULFONATE, DISODIUM 2,5-DIHYDROXYBENZENEDISULFONATE MONOHYDRATE, SODIUM P-HYDROXYBENZENESULFONATE OR SODIUM P-AMINOBENZENEDISULFONATE, AND A POLYHYDRIC ALCOHOLAS A HUMECTANT. EASTMAN KODAK COMPANY 2001-06-19 US disclosed