SCHEMBL1627083

SCHEMBL1627083

Cc1cc(N(CCO)CCC#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.47
MAPT P10636 9/20 0.47
MEN1 O00255 9/20 0.47
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
TDP1 Q9NUW8 5/20 0.47
MAPK1 P28482 5/20 0.47
POLB P06746 4/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MMP14 P50281 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 7/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.36
KDR P35968 1/20 0.35
HSP90AA1 P07900 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL112231 0.92 KMT2A (0.55) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL112230 0.92 KMT2A (0.55) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL29358253 0.92 KMT2A (0.55) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL10067503 0.87 KMT2A (0.50) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL26605521 0.87 ALDH1A1 (0.54) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL17787265 0.85 MAPT (0.41) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL25419671 0.84 KMT2A (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL12955663 0.84 ALDH1A1 (0.42) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL7717321 0.84 POLB (0.58) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL1087160 0.83 MAPT (0.52) KMT2AMAPTMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927791-B2 Methods for identifying small molecules that modulate premature translation termination and nonsense mediated mRNA decay PTC THERAPEUTICS, INC. (US) 2011-04-19 US disclosed
EP-2071036-A2 Methods for identifying RNA-binding compounds The University of Medicine and Dentistry of New Jersey (US) 2009-06-17 EP disclosed
EP-1377684-A4 METHODS FOR IDENTIFYING SMALL MOLECULES THAT BIND SPECIFIC RNA STRUCTURAL MOTIFS PTC THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-20060257866-A1 Methods for identifying small molecules that modulate premature translation termination and nonsense mediated mrna decay PTC THERAPEUTICS, INC. 2006-11-16 US disclosed
EP-1543157-A4 METHODS FOR IDENTIFYING SMALL MOLEDULES THAT MODULATE PREMATURE TRANSLATION TERMINATION AND NONSENSE MEDIATED mRNA DECAY PTC THERAPEUTICS INC (US) 2006-11-15 EP disclosed
US-20060228730-A1 Methods for identifying small molecules that bind specific RNA structural motifs RANDO ROBERT F 2006-10-12 US disclosed
US-20060194234-A1 Methods for identifying small molecules that bind specific RNA structural motifs PTC THERAPEUTICS, INC. 2006-08-31 US disclosed
US-20050221368-A1 Methods for identifying RNA binding compounds UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2005-10-06 US disclosed
US-20050142545-A1 Methods for identifying small molecules that bind specific rna structural motifs PTC THERAPEUTICS, INC. 2005-06-30 US disclosed
EP-1543157-A2 METHODS FOR IDENTIFYING SMALL MOLEDULES THAT MODULATE PREMATURE TRANSLATION TERMINATION AND NONSENSE MEDIATED mRNA DECAY PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
US-6875736-B2 Methods for identifying RNA binding compounds PTC THERAPEUTICS, INC. (US) 2005-04-05 US disclosed
US-20040219545-A1 Methods for identifying small molecules that bind specific rna structural motifs RANDO ROBERT F (US) 2004-11-04 US disclosed
WO-2004010106-A2 METHODS FOR IDENTIFYING SMALL MOLEDULES THAT MODULATE PREMATURE TRANSLATION TERMINATION AND NONSENSE MEDIATED mRNA DECAY PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed
EP-1377684-A1 METHODS FOR IDENTIFYING SMALL MOLECULES THAT BIND SPECIFIC RNA STRUCTURAL MOTIFS PTC Therapeutics, Inc. (US) 2004-01-07 EP disclosed
US-20030153523-A1 Methods for identifying RNA binding compounds UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2003-08-14 US disclosed
US-6503713-B1 Contacting an aqueous solution of a dye-labeled target RNA molecule with a plurality of test compounds attached to a plurality of solid supports, wherein each solid support has substantially one type of test compound attached to its UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2003-01-07 US disclosed
WO-2002083953-A1 METHODS FOR IDENTIFYING SMALL MOLECULES THAT BIND SPECIFIC RNA STRUCTURAL MOTIFS PTC THERAPEUTICS, INC. (US) 2002-10-24 WO disclosed
WO-2002083837-A1 METHODS FOR IDENTIFYING SMALL MOLECULES THAT BIND SPECIFIC RNA STRUCTURAL MOTIFS PTC THERAPEUTICS, INC. (US) 2002-10-24 WO disclosed
EP-1218544-A1 METHODS FOR IDENTIFYING RNA BINDING COMPOUNDS University of Medicine and Dentistry of New Jersey (US) 2002-07-03 EP disclosed
WO-2001025486-A1 METHODS FOR IDENTIFYING RNA BINDING COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2001-04-12 WO disclosed