SCHEMBL3489066

SCHEMBL3489066

CCC(C)Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
MAPT P10636 1/20 0.41
PDE9A O76083 2/20 0.41
XDH P47989 3/20 0.40
ADORA2B P29275 1/20 0.39
GDA Q9Y2T3 2/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
ENPP1 P22413 1/20 0.31

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
SCHEMBL60159 0.85 TSHR (0.46) MAPTXDHADORA2BGDAACHE
SCHEMBL7326964 0.83 MAPT (0.42) HCAR2MAPTXDHADORA2BGDA
SCHEMBL380136 0.80 MAPT (0.48) HCAR2MAPTXDHADORA2BGDA
SCHEMBL1150739 0.77 XDH (0.47) HCAR2MAPTXDHADORA2BGDA
SCHEMBL541696 0.76 MAPT (0.42) HCAR2MAPTXDHADORA2BGDA
SCHEMBL1111557 0.76 MAPT (0.36) MAPTXDHADORA2BGDAACHE
SCHEMBL6233162 0.74 XDH (0.51) HCAR2MAPTXDHADORA2BALDH1A1
SCHEMBL3118423 0.73 XDH (0.54) HCAR2MAPTXDHADORA2B
SCHEMBL3399435 0.73 MAPT (0.48) MAPTXDHADORA2BGDAACHE
SCHEMBL31438586 0.73 MAPT (0.48) HCAR2MAPTXDHADORA2BGDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100062038-A1 Markers, Antibodies and Recombinant scFvs for Mesenchymal Stem Cell Sub-populations and Osteoclasts NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2010-03-11 US disclosed
EP-2118272-A2 MARKERS, ANTIBODIES AND RECOMBINANT SCFVS FOR MESENCHYMAL STEM CELL-SUB-POPULATIONS AND OSTEOCLASTS National University of Ireland, Galway (IE) 2009-11-18 EP disclosed
WO-2008110578-A2 MARKERS, ANTIBODIES AND RECOMBINANT SCFVS FOR MESENCHYMAL STEM CELL-SUB-POPULATIONS AND OSTEOCLASTS NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2008-09-18 WO disclosed