SCHEMBL460942

SCHEMBL460942

O=P([O-])([O-])Oc1c[nH]c2ccccc12.[Na+].[Na+]

nearest known ligand 0.54

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
IMPDH2 known ✓ P12268 1/20 0.42
SLC22A6 Q4U2R8 2/20 0.51
PBRM1 Q86U86 1/20 0.43
GPR84 Q9NQS5 4/20 0.42
CYP2A6 P11509 1/20 0.42
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
AHR P35869 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR4A2 P43354 1/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKD3 O94806 1/20 0.39
CCNB2 O95067 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
SCHEMBL29769232 1.00 SLC22A6 (0.51) SLC22A6PBRM1GPR84CYP2A6IMPDH2
SCHEMBL1853697 0.85 SLC22A6 (0.54) SLC22A6PBRM1GPR84CYP2A6IMPDH2
SCHEMBL540158 0.82 SLC22A6 (0.56) SLC22A6PBRM1GPR84CYP2A6IMPDH2
SCHEMBL5638234 0.82 SLC22A6 (0.51) SLC22A6PBRM1GPR84CYP2A6IMPDH2
SCHEMBL31034497 0.82 SLC22A6 (0.56) SLC22A6PBRM1GPR84CYP2A6IMPDH2
SCHEMBL27808262 0.79 SLC22A6 (0.57) SLC22A6PBRM1GPR84ATMMEN1
SCHEMBL3144513 0.77 GPR84 (0.46) GPR84NR4A2ALDH1A1SMN1; SMN2
SCHEMBL3279763 0.77 SLC22A6 (0.50) SLC22A6PBRM1GPR84CYP2A6IMPDH2
SCHEMBL3135451 0.77 GPR84 (0.46) GPR84
SCHEMBL3144514 0.77 GPR84 (0.46) GPR84MEN1KMT2ANR4A2CCNB2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117761300-A Detection kit, rapid detection method and application thereof in aflatoxin detection 苏州翊创生物科技有限公司 2024-03-26 CN claimed
CN-116444479-A Preparation method of high optical purity L-lactide 扬州大学 2023-07-18 CN claimed
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
EP-0476930-B1 Enzyme assays SANKYO CO (JP) 1997-11-12 EP claimed
EP-0476930-A1 Enzyme assays Sankyo Company Limited (JP) 1992-03-25 EP claimed
CN-116444479-B Preparation method of high optical purity L-lactide 扬州大学 2024-08-02 CN disclosed
EP-2588219-B1 FILTER PLATE ARTICLE HAVING A WATER-ABSORBENT FILTER ASSEMBLY NEOGEN FOOD SAFETY US HOLDCO CORP (US) 2024-05-29 EP disclosed
CN-117761300-A Detection kit, rapid detection method and application thereof in aflatoxin detection 苏州翊创生物科技有限公司 2024-03-26 CN disclosed
CN-117761300-A Detection kit, rapid detection method and application thereof in aflatoxin detection 苏州翊创生物科技有限公司 2024-03-26 CN disclosed
US-20240003891-A1 IMMUNOASSAY USING CARBON NANOMATERIALS AND METHOD OF DETECTING TARGET ANTIGEN USING THE SAME LEE JI HOON (US) 2024-01-04 US disclosed
WO-2024006423-A1 IMMUNOASSAY USING CARBON NANOMATERIALS AND METHOD OF DETECTING TARGET ANTIGEN USING THE SAME LEE JI HOON (US) 2024-01-04 WO disclosed
US-5998156-A MEASURING ENZYME ACTIVITY USING ENZYME LABELED ANTIBODY OR ANTIGEN FUJIREBIO INC. (JP) 1999-12-07 US disclosed
US-5958675-A Method for detecting bacteria using bacteriophage, contrast-coloring dye and precipitable dye 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-09-28 US disclosed
WO-1998048042-A2 METHODS AND DEVICES FOR DETECTING BACTERIOPHAGE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-29 WO disclosed
EP-0648334-A4 IMMUNOASSAY USING DYE COMPLEXED ENZYME CONJUGATES. QUIDEL CORP (US) 1996-11-20 EP disclosed
EP-0648334-A1 IMMUNOASSAY USING DYE COMPLEXED ENZYME CONJUGATES QUIDEL CORPORATION (US) 1995-04-19 EP disclosed
WO-1994001775-A1 IMMUNOASSAY USING DYE COMPLEXED ENZYME CONJUGATES QUIDEL CORPORATION (US) 1994-01-20 WO disclosed