SCHEMBL3489068

SCHEMBL3489068

CCC(C)Cn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.44
GDA Q9Y2T3 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
HPRT1 P00492 2/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 1/20 0.32
PDE2A O00408 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
VCP P55072 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PDE1A P54750 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
SCHEMBL60160 0.87 PNP (0.47) PNPGDAKMT2AMEN1ALDH1A1
SCHEMBL7419700 0.86 ALDH1A1 (0.46) PNPKMT2AGAAALDH1A1CCNE2
SCHEMBL7326970 0.84 PNP (0.48) PNPGDAHPRT1KMT2AMEN1
SCHEMBL380137 0.82 PNP (0.50) PNPGDAKMT2AGAAALDH1A1
SCHEMBL7217325 0.80 PNP (0.49) PNPGDAKMT2AGAAALDH1A1
SCHEMBL16488940 0.80 PNP (0.43) PNPHPRT1KMT2AMEN1ALDH1A1
SCHEMBL5054173 0.79 PNP (0.54) PNPGDAKMT2AMEN1GAA
SCHEMBL4622185 0.79 PNP (0.49) PNPGDAHPRT1KMT2AMEN1
SCHEMBL8884657 0.78 PNP (0.51) PNPGDAKMT2AMEN1GAA
SCHEMBL295964 0.78 KDM4E (0.42) KMT2AMEN1GAAALDH1A1LMNA

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
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
US-20060094013-A1 Salt-inducible kinases 2 and use thereof TAKEMORI, HIROSHI (JP) 2006-05-04 US disclosed
EP-1468078-A1 METHOD AND DEVICE FOR IDENTIFYING SUBSTANCES CAPABLE OF MODULATING ADIPOCYTE DIFFERENTIATION Genfit (FR) 2004-10-20 EP disclosed
WO-2003060106-A1 METHOD AND DEVICE FOR IDENTIFYING SUBSTANCES CAPABLE OF MODULATING ADIPOCYTE DIFFERENTIATION GENFIT (FR) 2003-07-24 WO disclosed