SCHEMBL2219261

SCHEMBL2219261

COc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(OC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.COc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(OC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.[H+].[H+].[Na+].[Na+]

nearest known ligand 0.46

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
P2RY2 known ✓ P41231 1/20 0.45
P2RY12 known ✓ Q9H244 1/20 0.45
CA1 known ✓ P00915 3/20 0.44
CA2 known ✓ P00918 3/20 0.44
CA12 known ✓ O43570 2/20 0.37
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.46
CA9 Q16790 3/20 0.44
ENPP2 Q13822 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT1 Q99873 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 3/20 0.40
PTK2 Q05397 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL2206639 0.98 MAPT (0.48) MAPTGAAP2RY2P2RY12CA1
Potassium SCHEMBL2220089 0.97 MAPT (0.47) MAPTGAAP2RY2P2RY12CA1
SCHEMBL2204401 0.97 MAPT (0.46) MAPTGAAP2RY2P2RY12CA1
SCHEMBL2206071 0.96 CA1 (0.45) MAPTGAAP2RY2P2RY12CA1
Potassium SCHEMBL2219777 0.96 MAPT (0.45) MAPTGAAP2RY2P2RY12CA1
SCHEMBL2217201 0.93 P2RY2 (0.47) MAPTGAAP2RY2P2RY12CA1
SCHEMBL2219341 0.93 P2RY2 (0.47) MAPTGAAP2RY2P2RY12CA1
SCHEMBL2219284 0.92 P2RY2 (0.48) MAPTGAAP2RY2P2RY12CA1
SCHEMBL2203489 0.91 CA1 (0.46) MAPTGAAP2RY2P2RY12CA1
SCHEMBL2218470 0.90 CA1 (0.47) MAPTGAAP2RY2P2RY12CA1

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-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