SCHEMBL9104480

SCHEMBL9104480

O=S(=O)([O-])CCCN1c2ccccc2Oc2ccccc21.[Na+]

nearest known ligand 0.45

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
TUBB4A known ✓ P04350 1/20 0.40
TUBB known ✓ P07437 1/20 0.40
TUBA3C known ✓ P0DPH7 1/20 0.40
TUBA1B known ✓ P68363 1/20 0.40
TUBA4A known ✓ P68366 1/20 0.40
TUBB4B known ✓ P68371 1/20 0.40
TUBB3 known ✓ Q13509 1/20 0.40
TUBB2A known ✓ Q13885 1/20 0.40
TUBB8 known ✓ Q3ZCM7 1/20 0.40
TUBA3E known ✓ Q6PEY2 1/20 0.40
TUBA1A known ✓ Q71U36 1/20 0.40
TUBA1C known ✓ Q9BQE3 1/20 0.40
TUBB6 known ✓ Q9BUF5 1/20 0.40
TUBB2B known ✓ Q9BVA1 1/20 0.40
TUBB1 known ✓ Q9H4B7 1/20 0.40
PTGS1 known ✓ P23219 1/20 0.38
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 2/20 0.44
HPGD P15428 2/20 0.44

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
Pyrazine SCHEMBL9105851 0.93 KDM4E (0.41) SIGMAR1KDM4ECYP2C9HPGDDUSP3
SCHEMBL31243458 0.83 SIGMAR1 (0.46) SIGMAR1P2RX4SMPD1TDP1PIM1
SCHEMBL31243457 0.83 SIGMAR1 (0.46) SIGMAR1HPGDP2RX4SMPD1TDP1
SCHEMBL182696 0.83 SIGMAR1 (0.46) SIGMAR1HPGDP2RX4SMPD1TDP1
SCHEMBL9106500 0.81 SIGMAR1 (0.45) SIGMAR1HPGDP2RX4SMPD1TDP1
SCHEMBL48846 0.78 KDM4E (0.62) SIGMAR1KDM4ECYP2C9HPGDDUSP3
SCHEMBL31461254 0.78 HDAC3 (0.45) SIGMAR1HPGDP2RX4SMPD1TDP1
SCHEMBL30611012 0.78 KDM4E (0.62) SIGMAR1KDM4ECYP2C9HPGDDUSP3
SCHEMBL183103 0.78 HDAC3 (0.45) SIGMAR1HPGDP2RX4SMPD1TDP1
Lithium Ion SCHEMBL18104080 0.75 KDM4E (0.59) SIGMAR1KDM4ECYP2C9HPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119137239-A Electrochromic device and composition including anode component anions 维特罗平板玻璃有限责任公司 2024-12-13 CN disclosed
CN-119072535-A Electrochromic device comprising a polymer having residues of ((meth) acrylate-amine cationic bis (substituted-sulfonyl) imine anions)) monomers 维特罗平板玻璃有限责任公司 2024-12-03 CN disclosed
CN-119072536-A Electrochromic device and composition comprising poly ((diallyldimethylammonium bis (substituted-sulfonyl) imide anion)) 维特罗平板玻璃有限责任公司 2024-12-03 CN disclosed
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP disclosed