SCHEMBL7077795

SCHEMBL7077795

CC(C)C(N)C(=O)OCC(CCO)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.68
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HBB P68871 2/20 0.64
MAPK1 P28482 1/20 0.64
HPRT1 P00492 12/20 0.55
BLM P54132 2/20 0.52
USP2 O75604 1/20 0.52
PNP P00491 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TK1 P04183 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
VCP P55072 1/20 0.50

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
SCHEMBL711662 1.00 PDE3A (0.68) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL708704 1.00 PDE3A (0.68) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL708703 1.00 PDE3A (0.68) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL7745036 0.93 PDE3A (0.71) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL711558 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL711556 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL711557 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL8447226 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL7750986 0.92 PDE3A (0.73) PDE3AMEN1KMT2AHBBMAPK1
Hydrochloric Acid SCHEMBL7749498 0.92 HBB (0.71) PDE3AMEN1KMT2AHBBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880521-B1 SYNTHESIS OF ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2003-01-22 EP claimed