SCHEMBL30255031

SCHEMBL30255031

CC(=O)Nc1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc3c2O)cc1.[Na+].[Na+]

nearest known ligand 0.67

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
▸ CA2 known ✓ P00918 1/20 0.53
▸ THRB known ✓ P10828 1/20 0.51
▸ PRMT1 Q99873 4/20 0.67
▸ PRMT3 O60678 1/20 0.67
▸ EP300 Q09472 1/20 0.67
▸ PRMT6 Q96LA8 1/20 0.67
▸ CARM1 Q86X55 1/20 0.56
▸ CD40 P25942 1/20 0.56
▸ CD40LG P29965 1/20 0.56
▸ ENPP2 Q13822 7/20 0.55
▸ CA3 P07451 1/20 0.53
▸ AMY1A P0DUB6 3/20 0.48
▸ SIRT1 Q96EB6 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46

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
SCHEMBL10622996 0.90 PRMT1 (0.84) PRMT1PRMT3EP300PRMT6CARM1
SCHEMBL29393988 0.85 MEN1 (0.58) PRMT1PRMT3EP300PRMT6CARM1
SCHEMBL29460290 0.85 ENPP2 (0.54) PRMT1PRMT3EP300PRMT6CARM1
SCHEMBL30343347 0.83 ENPP2 (0.60) PRMT1PRMT3EP300PRMT6CARM1
SCHEMBL20499692 0.83 ENPP2 (0.60) PRMT1PRMT3EP300PRMT6CARM1
SCHEMBL10623044 0.83 ENPP2 (0.60) PRMT1PRMT3EP300PRMT6CARM1
SCHEMBL29363217 0.83 ENPP2 (0.73) PRMT1PRMT3EP300PRMT6CARM1
SCHEMBL10623011 0.82 PRMT1 (0.98) PRMT1PRMT3EP300PRMT6CD40
SCHEMBL30371624 0.82 PRMT1 (0.98) PRMT1PRMT3EP300PRMT6CD40
SCHEMBL27913238 0.81 ENPP2 (0.62) PRMT1PRMT3EP300PRMT6CARM1

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
CN-119108665-A Electrolyte additive, aqueous electrolyte and zinc-based energy storage device 清华大学深圳国际研究生院 2024-12-10 — — CN claimed
CN-119108665-A Electrolyte additive, aqueous electrolyte and zinc-based energy storage device 清华大学深圳国际研究生院 2024-12-10 — — CN disclosed
US-20230042522-A1 INKJET COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2023-02-09 — — US disclosed
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