SCHEMBL2220181

SCHEMBL2220181

COc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(N5CCOCC5)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]

nearest known ligand 0.50

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 18)

geneUniProtsupporting neighboursconfidence
P2RY2 known ✓ P41231 1/20 0.45
P2RY12 known ✓ Q9H244 1/20 0.45
CA12 known ✓ O43570 4/20 0.44
CA1 known ✓ P00915 4/20 0.44
CA2 known ✓ P00918 4/20 0.44
PTGS2 known ✓ P35354 2/20 0.44
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA9 Q16790 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL17328820 0.91 HSD17B10 (0.48) USP2HSD17B10MEN1KMT2ATDP1
SCHEMBL3927939 0.90 PTGS2 (0.52) HSD17B10KMT2ATDP1CA12CA1
SCHEMBL11728809 0.90 PTGS2 (0.52) HSD17B10KMT2ATDP1CA12CA1
SCHEMBL2220185 0.90 USP2 (0.47) USP2HSD17B10MEN1KMT2ATDP1
SCHEMBL2206062 0.87 P2RY12 (0.54) USP2HSD17B10MEN1KMT2ATDP1
SCHEMBL14390759 0.85 HSD17B10 (0.52) USP2HSD17B10MEN1KMT2ATDP1
Potassium Ion SCHEMBL2219759 0.85 P2RY12 (0.52) P2RY2P2RY12CA12CA1CA2
Potassium Ion SCHEMBL2220070 0.84 P2RY2 (0.51) MEN1KMT2AP2RY2P2RY12CA12
SCHEMBL12994676 0.83 HSD17B10 (0.49) USP2HSD17B10MEN1KMT2ATDP1
SCHEMBL8411922 0.82 LMNA (0.60) HSD17B10MEN1KMT2ATDP1CA12

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