Pyrazine

Pyrazine

SCHEMBL9105851

O=S(=O)([O-])CCCN1c2ccccc2Oc2ccccc21.[Na+].c1cnccn1.c1cnccn1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Pyrazine. 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 0.36
TUBB known ✓ P07437 1/20 0.36
TUBA3C known ✓ P0DPH7 1/20 0.36
TUBA1B known ✓ P68363 1/20 0.36
TUBA4A known ✓ P68366 1/20 0.36
TUBB4B known ✓ P68371 1/20 0.36
TUBB3 known ✓ Q13509 1/20 0.36
TUBB2A known ✓ Q13885 1/20 0.36
TUBB8 known ✓ Q3ZCM7 1/20 0.36
TUBA3E known ✓ Q6PEY2 1/20 0.36
TUBA1A known ✓ Q71U36 1/20 0.36
TUBA1C known ✓ Q9BQE3 1/20 0.36
TUBB6 known ✓ Q9BUF5 1/20 0.36
TUBB2B known ✓ Q9BVA1 1/20 0.36
TUBB1 known ✓ Q9H4B7 1/20 0.36
PTGS1 known ✓ P23219 1/20 0.35
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
DUSP3 P51452 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
SCHEMBL9104480 0.93 SIGMAR1 (0.45) KDM4ECYP2C9HPGDDUSP3L3MBTL1
Pyrazine SCHEMBL9102227 0.81 KDM4E (0.57) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL31243458 0.77 SIGMAR1 (0.46) SIGMAR1P2RX4SMPD1TDP1PIM1
SCHEMBL31243457 0.77 SIGMAR1 (0.46) HPGDSIGMAR1P2RX4SMPD1TDP1
SCHEMBL182696 0.77 SIGMAR1 (0.46) HPGDSIGMAR1P2RX4SMPD1TDP1
SCHEMBL9106500 0.76 SIGMAR1 (0.45) HPGDSIGMAR1P2RX4SMPD1TDP1
SCHEMBL48846 0.73 KDM4E (0.62) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL31461254 0.73 HDAC3 (0.45) HPGDSIGMAR1P2RX4SMPD1TDP1
SCHEMBL30611012 0.73 KDM4E (0.62) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL183103 0.73 HDAC3 (0.45) HPGDSIGMAR1P2RX4SMPD1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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