SCHEMBL2203248

SCHEMBL2203248

Cc1ccccc1Nc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Cl)nc(Nc5ccccc5C)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[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
P2RY1 known ✓ P47900 2/20 0.49
P2RY4 known ✓ P51582 5/20 0.48
THRB known ✓ P10828 1/20 0.48
P2RY12 known ✓ Q9H244 5/20 0.47
P2RY2 known ✓ P41231 6/20 0.46
P2RY6 known ✓ Q15077 2/20 0.46
CA12 known ✓ O43570 2/20 0.44
CA1 known ✓ P00915 2/20 0.44
CA2 known ✓ P00918 2/20 0.44
FUT8 Q9BYC5 2/20 0.49
USP2 O75604 2/20 0.48
APEX1 P27695 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48

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 SCHEMBL2218586 0.98 P2RY1 (0.48) P2RY1FUT8P2RY4USP2APEX1
SCHEMBL2220866 0.92 CHAT (0.44) P2RY1FUT8P2RY4USP2APEX1
SCHEMBL2204424 0.92 CHAT (0.44) P2RY1FUT8P2RY4USP2APEX1
SCHEMBL2200580 0.89 HPGDS (0.47) P2RY1FUT8P2RY4USP2APEX1
SCHEMBL2206198 0.88 HPGDS (0.48) P2RY1FUT8P2RY4USP2APEX1
Potassium SCHEMBL2218600 0.88 HPGDS (0.48) P2RY1FUT8P2RY4USP2APEX1
SCHEMBL2203266 0.88 CHAT (0.48) P2RY1FUT8P2RY4USP2APEX1
SCHEMBL11879420 0.87 CA12 (0.56) P2RY1FUT8P2RY4USP2APEX1
SCHEMBL1536255 0.87 CA12 (0.56) P2RY1FUT8P2RY4USP2APEX1
Potassium Ion SCHEMBL2203845 0.86 CA12 (0.55) P2RY1FUT8P2RY4USP2APEX1

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
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
EP-2345541-B1 Thermosensitive recording material and image recording method RICOH CO LTD (JP) 2012-08-29 EP disclosed
US-20110177941-A1 THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD RICOH COMPANY, LTD. (JP) 2011-07-21 US disclosed
EP-2345541-A2 Thermosensitive recording material and image recording method Ricoh Company, Ltd. (JP) 2011-07-20 EP disclosed