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SCHEMBL18888951

SCHEMBL18888951

O=S(=O)([O-])c1cc(O)c2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1.O=S(=O)([O-])c1cc(O)c2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1.O=S(=O)([O-])c1cc(O)c2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1.[Na+].[Na+].[Na+]

nearest known ligand 0.65

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 2/20 0.53
▸ PRMT1 Q99873 1/20 0.65
▸ MEN1 O00255 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ GRK2 P25098 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ PLEC Q15149 1/20 0.60
▸ CYP1A2 P05177 3/20 0.59
▸ CYP2C9 P11712 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ DNASE1L3 Q13609 1/20 0.58
▸ PHLPP2 Q6ZVD8 1/20 0.53
▸ ENPP2 Q13822 5/20 0.53
▸ PTPN1 P18031 3/20 0.51
▸ APP P05067 1/20 0.51
▸ SUMO2 P61956 1/20 0.50
▸ SUMO1 P63165 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP2 Q9HC62 1/20 0.50
▸ CD40 P25942 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
SCHEMBL11791659 0.95 MEN1 (0.66) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL11791648 0.95 MEN1 (0.66) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL29399950 0.94 PRMT1 (0.73) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL2161281 0.93 PRMT1 (0.74) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL3042237 0.93 PRMT1 (0.74) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL9273197 0.91 PRMT1 (0.73) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL11791675 0.91 PRMT1 (0.73) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL9273205 0.91 PRMT1 (0.73) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL29396086 0.89 MEN1 (0.70) PRMT1MEN1POLBGRK2KMT2A
SCHEMBL7558820 0.89 MEN1 (0.70) PRMT1MEN1POLBGRK2KMT2A

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
US-10564121-B2 Device and method for separation and analysis of trace and ultra-trace ionogenic compounds by isotachophoresis and zone electrophoresis on chip DOLNIK VLADISLAV (US) 2020-02-18 — — US disclosed
US-20170153202-A1 DEVICE AND METHOD FOR SEPARATION AND ANALYSIS OF TRACE AND ULTRA-TRACE IONOGENIC COMPOUNDS BY ISOTACHOPHORESIS AND ZONE ELECTROPHORESIS ON CHIP DOLNIK VLADISLAV (US) 2017-06-01 — — US disclosed
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