SCHEMBL28467677

SCHEMBL28467677

O=S(=O)([O-])c1cccc2c(N=Nc3ccc(N=Nc4cccc(S(=O)(=O)O)c4)c4ccccc34)ccc(Nc3ccccc3)c12.O=S(=O)([O-])c1cccc2c(N=Nc3ccc(N=Nc4cccc(S(=O)(=O)O)c4)c4ccccc34)ccc(Nc3ccccc3)c12.[Na+].[Na+]

nearest known ligand 0.61

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 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ SENP3 Q9H4L4 2/20 0.53
▸ SENP2 Q9HC62 2/20 0.53
▸ SENP1 Q9P0U3 2/20 0.53
▸ SUMO2 P61956 1/20 0.53
▸ SUMO1 P63165 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SNCA P37840 3/20 0.48
▸ CHAT P28329 1/20 0.48
▸ GLO1 Q04760 3/20 0.44
▸ TTR P02766 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ GAA P10253 2/20 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
SCHEMBL29356356 0.93 KMT2A (0.52) THRBKMT2AMEN1SENP3SENP2
SCHEMBL2858719 0.93 KMT2A (0.52) THRBKMT2AMEN1SENP3SENP2
SCHEMBL29401264 0.92 KMT2A (0.71) THRBKMT2AMEN1SENP3SENP2
SCHEMBL15276051 0.92 KMT2A (0.71) THRBKMT2AMEN1SENP3SENP2
SCHEMBL28414211 0.91 KMT2A (0.69) THRBKMT2AMEN1SENP3SENP2
SCHEMBL12177938 0.90 KMT2A (0.66) THRBKMT2AMEN1SENP3SENP2
SCHEMBL12177901 0.90 KMT2A (0.66) THRBKMT2AMEN1SENP3SENP2
SCHEMBL12177978 0.86 MEN1 (0.68) THRBKMT2AMEN1SENP3SENP2
SCHEMBL29425663 0.86 SNCA (0.45) THRBKMT2AMEN1SENP3SENP2
SCHEMBL2862763 0.86 SNCA (0.45) THRBKMT2AMEN1SENP3SENP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801409-A Cleaning composition 宝洁公司 2020-10-20 — — CN disclosed
CN-111684056-A Cleaning method 宝洁公司 2020-09-18 — — CN disclosed
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