SCHEMBL9817010

SCHEMBL9817010

COc1ccc(S(=O)(=O)[O-])cc1N.[Na+]

nearest known ligand 0.63

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
CA1 known ✓ P00915 1/20 0.63
CA2 known ✓ P00918 1/20 0.63
THRB known ✓ P10828 1/20 0.48
TUBB4A known ✓ P04350 1/20 0.44
TUBB known ✓ P07437 1/20 0.44
TUBA3C known ✓ P0DPH7 1/20 0.44
TUBA1B known ✓ P68363 1/20 0.44
TUBA4A known ✓ P68366 1/20 0.44
TUBB4B known ✓ P68371 1/20 0.44
TUBB3 known ✓ Q13509 1/20 0.44
TUBB2A known ✓ Q13885 1/20 0.44
TUBB8 known ✓ Q3ZCM7 1/20 0.44
TUBA3E known ✓ Q6PEY2 1/20 0.44
TUBA1A known ✓ Q71U36 1/20 0.44
TUBA1C known ✓ Q9BQE3 1/20 0.44
TUBB6 known ✓ Q9BUF5 1/20 0.44
TUBB2B known ✓ Q9BVA1 1/20 0.44
TUBB1 known ✓ Q9H4B7 1/20 0.44
MMP1 P03956 1/20 0.63
MMP2 P08253 1/20 0.63

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 SCHEMBL14988997 0.96 CA1 (0.63) CA1CA2MMP1MMP2MMP9
SCHEMBL14988892 0.85 MAPT (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL11122253 0.85 POLB (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL8131057 0.85 POLB (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL1806001 0.83 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL30629805 0.83 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL3344604 0.83 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL10497757 0.82 POLB (0.70) KMT2AALDH1A1TDP1LMNAHTT
SCHEMBL8496089 0.81 CA1 (0.63) CA1CA2MMP1MMP2MMP9
SCHEMBL155353 0.81 CA1 (0.68) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9231253-B2 Binder for electrode of lithium battery, binder composition including the binder, and lithium battery containing the binder SAMSUNG SDI CO., LTD. (KR) 2016-01-05 US disclosed
EP-0066282-B2 HEAT-DEVELOPABLE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-09-25 EP disclosed
EP-0066282-B1 HEAT-DEVELOPABLE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1986-01-02 EP disclosed
US-4478927-A SILVER HALIDE EMULSION, ORGANIC SILVER SALT, BINDER, AND DYE-RELEASING REDOX COMPOUND; PHOTOTHERMOGRAPHY; STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1984-10-23 US disclosed
US-3931144-A NON DIFFUSING PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1976-01-06 US disclosed