SCHEMBL1759207

SCHEMBL1759207

O=[N+]([O-])c1cccc(OP(=O)(O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.64
CA2 P00918 1/20 0.64
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SRC P12931 2/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
F2 P00734 1/20 0.49
ACP3 P15309 1/20 0.49
CA12 O43570 1/20 0.49
MMP2 P08253 1/20 0.49
PTPRC P08575 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
TP53 P04637 1/20 0.46

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
SCHEMBL1759204 1.00 CA1 (0.64) CA1CA2TSHRLMNAMEN1
SCHEMBL6006252 0.90 CES2 (0.64) CA1CA2TSHRLMNAMEN1
SCHEMBL5487184 0.86 TSHR (0.57) CA1CA2TSHRLMNAMEN1
SCHEMBL28058604 0.84 CES2 (0.53) CA1CA2TSHRLMNAMEN1
SCHEMBL28574633 0.83 MEN1 (0.53) CA1CA2TSHRLMNAMEN1
SCHEMBL28200751 0.83 MEN1 (0.50) CA1CA2TSHRLMNAMEN1
SCHEMBL27666671 0.83 NPSR1 (0.53) CA1CA2TSHRLMNAMEN1
SCHEMBL28033984 0.83 TSHR (0.53) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL11601005 0.82 F2 (0.49) CA1CA2TSHRLMNAMEN1
3-Nitrobenzaldehyde SCHEMBL29249142 0.81 SRC (0.62) CA1CA2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845217-A1 Inhibiting undesirable taste in oral compositions THE PROCTER & GAMBLE COMPANY (US) 1998-06-03 EP claimed
EP-2672982-A2 GHRELIN MIMETIC POLYPEPTIDE HAPTEN IMMUNOCONJUGATES HAVING IMPROVED SOLUBILITY AND IMMUNOGENICITY AND METHODS OF USE THEREOF The Scripps Research Institute (US) 2013-12-18 EP disclosed
EP-2499154-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS Ironwood Pharmaceuticals, Inc. (US) 2012-09-19 EP disclosed
WO-2012108960-A2 GHRELIN MIMETIC POLYPEPTIDE HAPTEN IMMUNOCONJUGATES HAVING IMPROVED SOLUBILITY AND IMMUNOGENICITY AND METHODS OF USE THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-16 WO disclosed
WO-2011057272-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-20070081984-A1 Compositions and methods for treating hypophosphatasia SAINT LOUIS UNIVERSITY 2007-04-12 US disclosed
WO-2005114197-A2 ACTIVITY-BASED PROBES FOR PROTEIN TYROSINE PHOSPHATASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2005-12-01 WO disclosed
EP-1423431-A4 ANTIBODIES TO VLA-1 BIOGEN IDEC INC (US) 2005-04-27 EP disclosed
EP-1423431-A2 ANTIBODIES TO VLA-1 BIOGEN, INC. (US) 2004-06-02 EP disclosed
EP-1363930-A4 A METHOD FOR GENERATING GENETICALLY ALTERED ANTIGENS MORPHOTEK INC (US) 2004-04-14 EP disclosed
WO-2002030968-A1 NOVEL MITE ALLERGENS AND USES THEREFOR NATIONAL UNIVERSITY OF SINGAPORE (SG) 2002-04-18 WO disclosed
EP-0865502-A4 A FLUORESCENCE-BASED SCREENING METHOD FOR IDENTIFYING LIGANDS SCRIPTGEN PHARM INC (US) 2000-08-16 EP disclosed
WO-1999021580-A9 REAGENTS AND IMMUNOASSAY FOR THE DETECTION AND QUANTITATIVE DETERMINATION OF MYCOTHIOL AND PRECURSORS THEREOF UNIV CALIFORNIA (US) 1999-07-29 WO disclosed
EP-0865502-A1 A FLUORESCENCE-BASED SCREENING METHOD FOR IDENTIFYING LIGANDS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
EP-0845217-A1 Inhibiting undesirable taste in oral compositions THE PROCTER & GAMBLE COMPANY (US) 1998-06-03 EP disclosed
WO-1997020952-A9 A FLUORESCENCE-BASED SCREENING METHOD FOR IDENTIFYING LIGANDS 1998-03-05 WO disclosed
EP-0812330-A2 PEPTIDYL COMPOUNDS COMPRISING AN ITIM MOTIF WHICH REGULATE HEMATOPOIETIC FUNCTION AND THEIR USE NATIONAL JEWISH CENTER FOR IMMUNOLOGY AND RESPIRATORY MEDICINE (US) 1997-12-17 EP disclosed
WO-1997035016-A1 POLYPEPTIDES HAVING PHYTASE ACTIVITY AND NUCLEIC ACIDS ENCODING SAME NOVO NORDISK BIOTECH INC (US) 1997-09-25 WO disclosed
WO-1997020952-A1 A FLUORESCENCE-BASED SCREENING METHOD FOR IDENTIFYING LIGANDS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-06-12 WO disclosed
WO-1996026961-A2 PEPTIDYL COMPOUNDS COMPRISING AN ITIM MOTIF WHICH REGULATE HEMATOPOIETIC FUNCTION AND THEIR USE NATIONAL JEWISH CENTER FOR IMMUNOLOGY AND RESPIRATORY MEDICINE (US) 1996-09-06 WO disclosed