SCHEMBL2220482

SCHEMBL2220482

O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1/C=C/c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1S(=O)(=O)O.[H+].[Na+]

nearest known ligand 0.47

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 19)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 5/20 0.46
CA1 known ✓ P00915 5/20 0.46
CA2 known ✓ P00918 5/20 0.46
P2RY12 known ✓ Q9H244 2/20 0.39
P2RY2 known ✓ P41231 1/20 0.39
P2RY4 known ✓ P51582 1/20 0.39
P2RY6 known ✓ Q15077 1/20 0.39
ENPP2 Q13822 2/20 0.47
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 1/20 0.46
CHAT P28329 3/20 0.42
USP2 O75604 1/20 0.42
APEX1 P27695 1/20 0.42
HPGDS O60760 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
NFKB1 P19838 3/20 0.40
POLB P06746 1/20 0.40
TERT O14746 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
SCHEMBL2204687 0.97 ENPP2 (0.49) ENPP2CA12CA1CA2CA9
SCHEMBL46608 0.97 ENPP2 (0.49) ENPP2CA12CA1CA2CA9
Calcium SCHEMBL2206379 0.96 ENPP2 (0.48) ENPP2CA12CA1CA2CA9
SCHEMBL2220503 0.96 ENPP2 (0.48) ENPP2CA12CA1CA2CA9
SCHEMBL11732259 0.96 ENPP2 (0.48) ENPP2CA12CA1CA2CA9
SCHEMBL2220393 0.93 CA12 (0.46) ENPP2CA12CA1CA2CA9
SCHEMBL16258799 0.92 ENPP2 (0.45) ENPP2CA12CA1CA2CA9
SCHEMBL15258076 0.92 ENPP2 (0.45) ENPP2CA12CA1CA2CA9
SCHEMBL2222015 0.92 CA12 (0.52) ENPP2CA12CA1CA2CA9
SCHEMBL2220496 0.92 CA12 (0.44) ENPP2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722190-B1 Optimized undercoat for thermal recording material RICOH IND FRANCE SAS (FR) 2015-12-16 EP disclosed
EP-2722190-A1 Optimized undercoat for thermal recording material Ricoh Industrie France SAS (FR) 2014-04-23 EP disclosed
US-8546300-B2 Thermosensitive recording material and image recording method RICOH COMPANY, LTD. (JP) 2013-10-01 US disclosed
US-20110177941-A1 THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD RICOH COMPANY, LTD. (JP) 2011-07-21 US disclosed