SCHEMBL6808069

SCHEMBL6808069

O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]

nearest known ligand 0.56

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
THRB known ✓ P10828 3/20 0.42
P2RY12 known ✓ Q9H244 5/20 0.38
P2RY2 known ✓ P41231 5/20 0.38
P2RY4 known ✓ P51582 5/20 0.38
P2RY6 known ✓ Q15077 3/20 0.38
FUT8 Q9BYC5 1/20 0.56
PRMT1 Q99873 3/20 0.55
CARM1 Q86X55 1/20 0.55
APP P05067 1/20 0.51
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
GRK2 P25098 1/20 0.49
PLEC Q15149 1/20 0.49
ENPP2 Q13822 2/20 0.47
USP2 O75604 2/20 0.43
PTPN1 P18031 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RX2 Q9UBL9 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
SCHEMBL29385758 1.00 FUT8 (0.56) FUT8PRMT1CARM1APPMEN1
SCHEMBL29405634 0.90 PRMT1 (0.53) FUT8PRMT1CARM1APPMEN1
SCHEMBL29663889 0.90 FUT8 (0.67) FUT8PRMT1CARM1APPMEN1
SCHEMBL3697372 0.87 FUT8 (0.73) FUT8PRMT1CARM1MEN1KMT2A
SCHEMBL3697366 0.87 FUT8 (0.73) FUT8PRMT1CARM1MEN1KMT2A
SCHEMBL6808077 0.87 FUT8 (0.73) FUT8PRMT1CARM1MEN1KMT2A
SCHEMBL29393807 0.86 FUT8 (0.72) FUT8PRMT1CARM1APPMEN1
SCHEMBL4409511 0.86 FUT8 (0.72) FUT8PRMT1CARM1APPMEN1
SCHEMBL4409516 0.86 FUT8 (0.72) FUT8PRMT1CARM1APPMEN1
SCHEMBL4855320 0.84 FUT8 (0.48) FUT8PRMT1CARM1APPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132199-A1 Method for monitoring a reaction by coloring reaction in the solid phase synthesis of a sugar chain RIKEN (JP) 2004-07-08 US disclosed