SCHEMBL3756185

SCHEMBL3756185

O=[N+]([O-])c1ccc2c(/N=N/c3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.98
CYP2C9 P11712 2/20 0.98
TSHR P16473 2/20 0.98
CYP2C19 P33261 2/20 0.98
HSD17B10 Q99714 2/20 0.98
CYP3A4 P08684 1/20 0.98
CYP2D6 P10635 1/20 0.98
HPGD P15428 1/20 0.98
ALOX15 P16050 1/20 0.98
ALOX12 P18054 1/20 0.98
CSNK2A1 P68400 1/20 0.98
PRMT1 Q99873 1/20 0.80
MPL P40238 13/20 0.73
CTRC Q99895 2/20 0.73
CTRB1 P17538 1/20 0.52
NSD2 O96028 1/20 0.52
MMP14 P50281 1/20 0.52
CASP6 P55212 1/20 0.52
NT5E P21589 1/20 0.51
HIF1A Q16665 2/20 0.48

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
SCHEMBL2220297 1.00 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29416328 0.99 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29366217 0.99 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3424518 0.99 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29416331 0.99 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL18338970 0.99 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL1470827 0.99 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30155023 0.98 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3756189 0.98 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30371782 0.98 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210278381-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2021-09-09 US claimed
US-10845346-B2 Compositions, apparatus, and methods for determining hardness of water and magnesium ion in an analyte composition Water Lens, LLC (US) 2020-11-24 US claimed
US-20180156763-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2018-06-07 US claimed
EP-1859873-A1 Method and apparatus for washing a glass container JohnsonDiversey, Inc. (US) 2007-11-28 EP claimed
US-20250123252-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2025-04-17 US disclosed
US-11885783-B2 Compositions, apparatus, and methods for determining hardness of water and magnesium ion in an analyte composition Water Lens, LLC (US) 2024-01-30 US disclosed
US-20210278381-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2021-09-09 US disclosed
US-10845346-B2 Compositions, apparatus, and methods for determining hardness of water and magnesium ion in an analyte composition Water Lens, LLC (US) 2020-11-24 US disclosed
US-10391807-B2 Polymer laminate for a security and/or valuable document and method for the production thereof BUNDESDRUCKEREI GMBH (DE) 2019-08-27 US disclosed
US-20180156763-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2018-06-07 US disclosed
US-20100295290-A1 POLYMER LAMINATE FOR A SECURITY AND/OR VALUABLE DOCUMENT AND METHOD FOR THE PRODUCTION THEREOF BUNDESDRUCKEREI GMBH (DE) 2010-11-25 US disclosed
US-20080314409-A1 METHOD FOR WASHING A GLASS CONTAINER DIVERSEY, INC. (FORMERLY KNOWN AS JOHNSONDIVERSEY, INC.) 2008-12-25 US disclosed
US-5643358-A DETERGENT ADDITIVE FOR SEQUESTERING CALCIUM AND MAGNESIUM IONS, COMPOSITE OF CRYSTALLINE AND AMORPHOUS MATERIAL PQ CORPORATION (US) 1997-07-01 US disclosed
US-5614160-A CRYSTALLINE, HYDRATED LAYERED SODIUM SILICATE/AMORPHOUS SODIUM SILICATE PQ CORPORATION (US) 1997-03-25 US disclosed
EP-0255230-B1 PROCESS FOR PRODUCING POLYPHENYLENE ETHERS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-10-14 EP disclosed
US-4895929-A Process for producing polyphenylene ether, dispersing polyether in aqueous medium and heating dispersion MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4612342-A Rubber compositions containing small particle size zeolites J. M. HUBER CORPORATION (US) 1986-09-16 US disclosed
US-4576986-A ION EXCHANGE, NONSETTLING FLATTING PIGMENTS, WATER SOFTENERS, DETERGENTS, FILLERS J. M. HUBER CORPORATION (US) 1986-03-18 US disclosed
US-4416805-A DISSOLVING SAND IN SODIUM HYDROXIDE TO FORM SODIUM SILICATE, THEN REACTING WITH SODIUM ALUMINATE J. M. HUBER CORPORATION (US) 1983-11-22 US disclosed
US-4383043-A Magnesium assay with calmagite or eriochrome black T reagents AMERICAN MONITOR CORPORATION (US) 1983-05-10 US disclosed