SCHEMBL4326697

SCHEMBL4326697

O=P(O)(O)c1cc(Cl)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c2c1O.[Na+].[Na+]

nearest known ligand 0.78

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
THRB known ✓ P10828 3/20 0.39
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
POLB P06746 1/20 0.78
GRK2 P25098 1/20 0.78
PLEC Q15149 1/20 0.78
PTPN1 P18031 6/20 0.52
USP2 O75604 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
APEX1 P27695 2/20 0.48
PRMT1 Q99873 1/20 0.47
CYP1A2 P05177 2/20 0.45
MAPK1 P28482 2/20 0.44
CYP2C9 P11712 1/20 0.44
DNASE1L3 Q13609 1/20 0.44
DUSP5 Q16690 2/20 0.42
APP P05067 1/20 0.40
ENPP2 Q13822 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL30358116 1.00 MEN1 (0.78) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29381693 1.00 MEN1 (0.78) MEN1KMT2APOLBGRK2PLEC
SCHEMBL4326683 1.00 MEN1 (0.78) MEN1KMT2APOLBGRK2PLEC
SCHEMBL10893557 0.92 MEN1 (0.64) MEN1KMT2APOLBGRK2PLEC
SCHEMBL10893544 0.92 MEN1 (0.64) MEN1KMT2APOLBGRK2PLEC
SCHEMBL700390 0.88 MEN1 (1.00) MEN1KMT2APOLBGRK2PLEC
SCHEMBL11754845 0.88 MEN1 (1.00) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29859205 0.88 MEN1 (1.00) MEN1KMT2APOLBGRK2PLEC
SCHEMBL16143830 0.86 PRMT1 (0.67) MEN1KMT2APOLBGRK2PLEC
SCHEMBL16143776 0.86 PRMT1 (0.67) MEN1KMT2APOLBGRK2PLEC

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-12287283-B2 Linearized optical sensor calibration for measuring calcium ECOLAB USA INC. (US) 2025-04-29 US disclosed
EP-4172595-A1 LINEARIZED OPTICAL SENSOR CALIBRATION FOR MEASURING CALCIUM Ecolab USA Inc. (US) 2023-05-03 EP disclosed
WO-2022006234-A1 LINEARIZED OPTICAL SENSOR CALIBRATION FOR MEASURING CALCIUM ECOLAB USA INC. (US) 2022-01-06 WO disclosed
US-20210404950-A1 LINEARIZED OPTICAL SENSOR CALIBRATION FOR MEASURING CALCIUM ECOLAB USA INC. 2021-12-30 US disclosed
EP-1615029-B1 Reagent and method for determination of calcium NITTO BOSEKI CO LTD (JP) 2014-10-08 EP disclosed
US-7544516-B2 Reagent for determination of calcium and determination method NITTO BOSEKI CO., LTD. (JP) 2009-06-09 US disclosed
US-20060008915-A1 Reagent for determination of calcium and determination method NITTO BOSEKI CO., LTD. (JP) 2006-01-12 US disclosed
EP-1615029-A2 Reagent and method for determination of calcium NITTO BOSEKI CO., LTD. (JP) 2006-01-11 EP disclosed