SCHEMBL2232070

SCHEMBL2232070

O=C1N[C@H]2[C@H](CS[C@H]2CCCC(C(=O)O)N2C(=O)C=CC2=O)N1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.56
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RIN1 Q13671 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HLCS P50747 6/20 0.52
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
PTPRF P10586 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41

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
SCHEMBL625200 0.87 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL23124403 0.87 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL7996104 0.83 TDP1 (0.50) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL29531755 0.82 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL487045 0.81 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL425273 0.80 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL8988137 0.80 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM
SCHEMBL4153459 0.79 TDP1 (0.48) TDP1MEN1ABL1LMNAPKM
SCHEMBL1936659 0.79 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL6036962 0.79 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180080061-A1 BIOSYNTHETIC LABELING AND SEPARATION OF RNA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-03-22 US disclosed
WO-2016154040-A2 BIOSYNTHETIC LABELING AND SEPARATION OF RNA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-29 WO disclosed
EP-1755667-B1 STABLE PEPTIDE MIMETIC OF HIV GP41 FUSION INTERMEDIATE MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
WO-2013087789-A1 ANTIBODY ISOFORM ARRAYS AND METHODS THEREOF GLYKOS FINLAND LTD. (FI) 2013-06-20 WO disclosed
EP-2354153-A2 Stable peptide mimetic of HIV gp41 fusion intermediate Merck Sharp & Dohme Corp. (US) 2011-08-10 EP disclosed
US-7811577-B2 Covalently stabilized chimeric coiled-coil HIV gp41 N-peptides with improved antiviral activity MERCK SHARP & DOHME CORP. (US) 2010-10-12 US disclosed
EP-1625234-B1 BIOSYNTHETIC LABELING AND SEPARATION OF RNA UNIV LELAND STANFORD JUNIOR (US) 2009-08-19 EP disclosed
WO-2009092808-A1 METHOD FOR DETECTING PHOSPHOPANTETHEINYL TRANSFERASE ACTIVITY NATIONAL UNIVERSITY OF IRELAND, MAYNOOTH (IE) 2009-07-30 WO disclosed
EP-1755667-A4 STABLE PEPTIDE MIMETIC OF HIV GP41 FUSION INTERMEDIATE MERCK & CO INC (US) 2008-09-03 EP disclosed
US-20070224212-A1 Stable Peptide Mimetic of Hiv Gp41 Fusion Intermediate MERCK SHARP & DOHME LLC 2007-09-27 US disclosed
EP-1625234-A4 BIOSYNTHETIC LABELING AND SEPARATION OF RNA UNIV LELAND STANFORD JUNIOR (US) 2007-08-22 EP disclosed
EP-1755667-A2 STABLE PEPTIDE MIMETIC OF HIV GP41 FUSION INTERMEDIATE Merck & Co., Inc. (US) 2007-02-28 EP disclosed
US-20060222869-A1 Electropen lithography ENERGY, UNITED STATES DEPARTMENT 2006-10-05 US disclosed
EP-1625234-A1 BIOSYNTHETIC LABELING AND SEPARATION OF RNA The Board of Trustees of The Leland Stanford Junior University (US) 2006-02-15 EP disclosed
WO-2005118886-A2 STABLE PEPTIDE MIMETIC OF HIV GP41 FUSION INTERMEDIATE MERCK & CO., INC. (US) 2005-12-15 WO disclosed
US-20040259135-A1 Biosynthetic labeling and separation of RNA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-23 US disclosed
WO-2004101825-A1 BIOSYNTHETIC LABELING AND SEPARATION OF RNA THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-11-25 WO disclosed
US-20040219542-A1 Compositions and methods for identifying, characterizing, optimizing and using ligands to transcytotic molecules ARIZEKE PHARMACEUTICALS, INC. 2004-11-04 US disclosed
WO-2002074787-A2 COMPOSITIONS AND METHODS FOR IDENTIFYING, CHARACTERIZING, OPTIMIZING AND USING LIGANDS TO TRANSCYTOTIC MOLECULES ARIZEKE PHARMACEUTICALS, INC. (US) 2002-09-26 WO disclosed