SCHEMBL3135451

SCHEMBL3135451

O=P([O-])([O-])Oc1c[nH]c2cc(F)ccc12.[Na+].[Na+]

nearest known ligand 0.46

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 4)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
TDO2 P48775 9/20 0.43
HTR2A P28223 1/20 0.42
IDO1 P14902 1/20 0.39

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
SCHEMBL6409572 0.87 GPR84 (0.49) GPR84TDO2HTR2AIDO1
SCHEMBL6409577 0.84 GPR84 (0.46) GPR84TDO2HTR2AIDO1
SCHEMBL3144513 0.81 GPR84 (0.46) GPR84HTR2AIDO1
SCHEMBL460942 0.77 SLC22A6 (0.51) GPR84
SCHEMBL29769232 0.77 SLC22A6 (0.51) GPR84
SCHEMBL14527873 0.75 GPR84 (0.53) GPR84TDO2HTR2AIDO1
SCHEMBL3144514 0.72 GPR84 (0.46) GPR84HTR2AIDO1
SCHEMBL9119246 0.72 SLC22A6 (0.62) GPR84TDO2HTR2AIDO1
SCHEMBL1921362 0.70 CSNK2A1 (0.43)
Phosphoric Acid SCHEMBL1231445 0.69 GPR84 (0.54) GPR84TDO2HTR2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090929-B2 Medium for detecting and differentiating vancomycin-resistant enterococci OXOID LIMITED (GB) 2015-07-28 US claimed
EP-2186906-B1 Medium for detecting and differentiating vancomycin-resistant enterococci OXOID LTD (GB) 2012-07-25 EP claimed
EP-2186906-A2 Medium for detecting and differentiating vancomycin-resistant enterococci OXOID LIMITED (GB) 2010-05-19 EP claimed
US-20100120086-A1 MEDIUM FOR DETECTING AND DIFFERENTIATING VANCOMYCIN-RESISTANT ENTEROCOCCI OXOID LTD. (GB) 2010-05-13 US claimed
US-9090929-B2 Medium for detecting and differentiating vancomycin-resistant enterococci OXOID LIMITED (GB) 2015-07-28 US disclosed
EP-2186906-B1 Medium for detecting and differentiating vancomycin-resistant enterococci OXOID LTD (GB) 2012-07-25 EP disclosed
EP-2186906-A2 Medium for detecting and differentiating vancomycin-resistant enterococci OXOID LIMITED (GB) 2010-05-19 EP disclosed
US-20100120086-A1 MEDIUM FOR DETECTING AND DIFFERENTIATING VANCOMYCIN-RESISTANT ENTEROCOCCI OXOID LTD. (GB) 2010-05-13 US disclosed