SCHEMBL8447226

SCHEMBL8447226

CC(C)C(N)C(=O)OCC(CCOC(=O)[C@@H](N)C(C)C)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HBB P68871 2/20 0.69
MAPK1 P28482 1/20 0.69
PDE3A Q14432 1/20 0.66
HPRT1 P00492 12/20 0.55
PNP P00491 2/20 0.49
BLM P54132 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
EDNRA P25101 1/20 0.49
HTR2A P28223 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
VCP P55072 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL711558 1.00 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL711557 1.00 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL711556 1.00 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL7745036 0.93 PDE3A (0.71) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL14595282 0.93 MEN1 (0.68) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL708704 0.93 PDE3A (0.68) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL7077795 0.93 PDE3A (0.68) MEN1KMT2AHBBMAPK1PDE3A
Valomaciclovir SCHEMBL711293 0.93 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
Valomaciclovir SCHEMBL417653 0.93 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL708703 0.93 PDE3A (0.68) MEN1KMT2AHBBMAPK1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888348-A1 ACYCLIC NUCLEOSIDE DERIVATIVES Medivir Aktiebolag (SE) 1999-01-07 EP disclosed
EP-0880521-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDES Medivir Aktiebolag (SE) 1998-12-02 EP disclosed
WO-1997030052-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 1997-08-21 WO disclosed
WO-1997030051-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1997-08-21 WO disclosed