SCHEMBL887901

SCHEMBL887901

Nc1nc(Cl)c2ncn([C@H]3CC[C@@H](CO)O3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
ALDH1A1 P00352 2/20 0.60
ALB P02768 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP1A2 P05177 1/20 0.56
TP53 P04637 2/20 0.46
PNP P00491 1/20 0.46
HTT P42858 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3A Q14432 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NT5E P21589 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
AHCY P23526 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 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
SCHEMBL26031132 1.00 LMNA (0.60) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL25711908 1.00 LMNA (0.60) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL23585882 0.88 LMNA (0.57) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL25712959 0.88 LMNA (0.59) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL3239663 0.88 LMNA (0.59) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL12154625 0.87 ALDH1A1 (0.58) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL12149469 0.86 ALDH1A1 (0.57) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL29323099 0.86 LMNA (0.54) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL23641839 0.86 LMNA (0.54) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL21029821 0.85 LMNA (0.43) LMNAALDH1A1ALBMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
EP-2403863-B1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-7883869-B2 for sequencing single-stranded DNA by employing a nanopore and modified nucleotides THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-08 US disclosed
US-20100092952-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 US disclosed
WO-2008154286-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed