SCHEMBL548572

SCHEMBL548572

O=[N+]([O-])c1ccc(OP(=O)(O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.65
CA2 P00918 3/20 0.65
CES2 O00748 2/20 0.65
CES1 P23141 2/20 0.65
CA12 O43570 2/20 0.59
CA4 P22748 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL1901209 0.85 CA1 (0.62) CA1CA2CES2CES1BCHE
SCHEMBL20819121 0.84 CA2 (0.71) CA1CA2CA12CA4CA5A
SCHEMBL10405347 0.83 CA1 (0.59) CA1CA2CES2CES1BCHE
P-Nitrophenylphosphate SCHEMBL2771528 0.83 CA1 (0.86) CA1CA2CES2CES1BCHE
SCHEMBL548571 0.83 L3MBTL1 (0.63) CA1CA2CES2CES1CA12
SCHEMBL233887 0.83 CES2 (0.86) CA1CA2CES2CES1BCHE
SCHEMBL28574633 0.83 MEN1 (0.53) CA1CA2CES2CES1CA12
SCHEMBL21815508 0.82 L3MBTL1 (0.67) CA1CA2CES2CES1CA12
SCHEMBL1901207 0.82 CA1 (0.57) CA1CA2CES2CES1BCHE
SCHEMBL3920864 0.81 CA1 (0.56) CA1CA2CES2CES1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435964-B2 Ectonucleotidase pyrophosphate/phosphodiestrase-1 (ENPP-1) as a target for the treatment of aortic valve stenosis and cardiovascular calcification UNIVERSITE LAVAL (CA) 2013-05-07 US claimed
US-4041111-A PHOSPHONIC ACID DICHLORIDE REACTED WITH 2-NAPHTHOL OR 4-NITRO-PHENOL, HYDROLYSIS PURDUE RESEARCH FOUNDATION (US) 1977-08-09 US claimed
US-11999980-B2 Non-specific nucleases from the genus Pseudomonas for use in facilitating flow of cells through a microfluidic channel Miltenyi Biotec B.V. & Co. KG (DE) 2024-06-04 US disclosed
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 EP disclosed
US-20210301273-A1 Non-Specific Nucleases from the Genus Pseudomonas for Use in Facilitating Flow of Cells Through a Microfluidic Channel Miltenyi Biotec B.V. & Co. KG (DE) 2021-09-30 US disclosed
CN-112996497-A Morphic forms of complement factor D inhibitors 艾其林医药公司 2021-06-18 CN disclosed
EP-3830255-A1 NON-SPECIFIC NUCLEASES FROM THE GENUS PSEUDOMONAS Miltenyi Biotec B.V. & Co. KG (DE) 2021-06-09 EP disclosed
WO-2020245321-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2020-12-10 WO disclosed
WO-2020025468-A1 NON-SPECIFIC NUCLEASES FROM THE GENUS PSEUDOMONAS Miltenyi Biotec B.V. & Co. KG (DE) 2020-02-06 WO disclosed
US-8545762-B2 Sensor for detecting compounds BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-01 US disclosed
US-8435964-B2 Ectonucleotidase pyrophosphate/phosphodiestrase-1 (ENPP-1) as a target for the treatment of aortic valve stenosis and cardiovascular calcification UNIVERSITE LAVAL (CA) 2013-05-07 US disclosed
EP-0644932-B1 PURIFIED FORMS OF DNASE GENENTECH INC (US) 2000-08-09 EP disclosed
EP-1013284-A2 Purified forms of dnase Genentech, Inc. (US) 2000-06-28 EP disclosed
US-5962291-A MONOCLONAL ANTIBODY CAPABLE OF HYDROLYZING A SUBSTRATE; HAS TWO BINDING SITES: ONE FOR FREE METAL ION, ONE FOR SUBSTRATE THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-10-05 US disclosed
US-5783433-A ION EXCHANGING GENENTECH, INC. (US) 1998-07-21 US disclosed
EP-0644932-A1 PURIFIED FORMS OF DNASE GENENTECH, INC. (US) 1995-03-29 EP disclosed
US-5279823-A Deoxyribonuclease GENENTECH, INC. (US) 1994-01-18 US disclosed
WO-1993025670-A1 PURIFIED FORMS OF DNASE GENENTECH, INC. (US) 1993-12-23 WO disclosed
US-5254801-A Inducing male sterility for hybrid seed production, cell ablation, counter-negative selection; genetic engineering MONSANTO COMPANY (US) 1993-10-19 US disclosed
US-4041111-A PHOSPHONIC ACID DICHLORIDE REACTED WITH 2-NAPHTHOL OR 4-NITRO-PHENOL, HYDROLYSIS PURDUE RESEARCH FOUNDATION (US) 1977-08-09 US disclosed