SCHEMBL8205036

SCHEMBL8205036

O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(CCCCNS(=O)(=O)O)c1=O.[Na+]

nearest known ligand 0.72

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 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.65
GRIK1 P39086 2/20 0.53
GRIK2 Q13002 2/20 0.53
GRIK3 Q13003 2/20 0.53
GRIK4 Q16099 2/20 0.53
GRIK5 Q16478 2/20 0.53
GRIA1 P42261 1/20 0.53
GRIA2 P42262 1/20 0.53
GRIA3 P42263 1/20 0.53
GRIA4 P48058 1/20 0.53

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
SCHEMBL8205038 0.98 SLC22A6 (0.65) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8205023 0.98 SLC22A6 (0.65) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8205028 0.93 SLC22A6 (0.63) SLC22A6SLC22A8GRIK1GRIK2GRIK3
Sulfuric Acid SCHEMBL8193780 0.88 SLC22A6 (0.67) SLC22A6SLC22A8GRIK1GRIK2GRIK3
Sulfuric Acid SCHEMBL8203731 0.87 SLC22A6 (0.66) SLC22A6SLC22A8GRIK1GRIK2GRIK3
Sulfuric Acid SCHEMBL8192619 0.87 SLC22A6 (0.68) SLC22A6SLC22A8GRIK1GRIK2GRIK3
Sulfuric Acid SCHEMBL8200151 0.85 SLC22A6 (0.70) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8203966 0.85 SLC22A6 (0.70) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8191888 0.84 SLC22A6 (0.72) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8191566 0.84 SLC22A6 (0.78) SLC22A6SLC22A8GRIK1GRIK2GRIK3

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-6121264-A GLUTAMATE RECEPTOR ANTAGONIST, AMPA RECEPTOR ANTAGONIST, NMDA-GLYCINE RECEPTOR ANTAGONIST, KAINIC ACID NEUROTOXICITY INHIBITOR, ANTIISCHEMIC AGENT, PSYCHOTROPIC AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
EP-0919554-A1 IMIDAZOLE-SUBSTITUTED QUINOXALINEDIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-06-02 EP disclosed