SCHEMBL30116101

SCHEMBL30116101

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5c([O-])ccc6ccccc56)cc4)cc3)c([O-])c12.[Na+].[Na+]

nearest known ligand 0.54

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 1/20 0.41
▸ PHLPP2 Q6ZVD8 2/20 0.54
▸ ENPP2 Q13822 7/20 0.51
▸ SENP2 Q9HC62 3/20 0.48
▸ SUMO2 P61956 2/20 0.48
▸ SUMO1 P63165 2/20 0.48
▸ SENP7 Q9BQF6 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP1A2 P05177 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ SENP1 Q9P0U3 2/20 0.46
▸ SENP3 Q9H4L4 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ APP P05067 1/20 0.41

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
SCHEMBL29594466 0.90 CYP1A2 (0.52) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL29637806 0.81 PHLPP2 (0.53) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL29678208 0.80 ENPP2 (0.55) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL7603593 0.77 CYP1A2 (0.62) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL29723425 0.74 ENPP2 (0.75) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL12573539 0.74 ENPP2 (0.75) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL344209 0.74 PHLPP2 (0.70) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL29377534 0.74 PHLPP2 (0.70) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL113323 0.74 PHLPP2 (0.70) PHLPP2ENPP2SENP2SUMO2SUMO1
SCHEMBL186095 0.74 PHLPP2 (0.70) PHLPP2ENPP2SENP2SUMO2SUMO1

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-11554594-B2 Ink jet method and ink jet recording apparatus SEIKO EPSON CORPORATION 2023-01-17 — — US disclosed
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