SCHEMBL7749536

SCHEMBL7749536

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 12/20 0.67
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
BLM P54132 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
VCP P55072 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
HBB P68871 2/20 0.55
USP2 O75604 1/20 0.55
PNP P00491 1/20 0.55
TSHR P16473 1/20 0.55
EDNRA P25101 1/20 0.55
HTR2A P28223 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL7749497 0.95 HPRT1 (0.60) HPRT1MEN1KMT2ABLMALDH1A1
SCHEMBL13127503 0.93 HPRT1 (0.58) HPRT1MEN1KMT2ABLMALDH1A1
SCHEMBL8839866 0.93 HPRT1 (0.58) HPRT1MEN1KMT2ABLMALDH1A1
Hydrochloric Acid SCHEMBL10533769 0.92 HPRT1 (0.57) HPRT1MEN1KMT2ABLMALDH1A1
SCHEMBL5930196 0.89 ALDH1A1 (0.59) HPRT1MEN1KMT2ABLMALDH1A1
SCHEMBL23710644 0.88 PDE3A (0.56) HPRT1MEN1KMT2ABLMALDH1A1
SCHEMBL7745038 0.88 HPRT1 (0.52) HPRT1MEN1KMT2ABLMALDH1A1
SCHEMBL7745036 0.87 PDE3A (0.71) HPRT1MEN1KMT2ABLMALDH1A1
SCHEMBL5930085 0.86 TK1 (0.56) HPRT1MEN1KMT2ABLMALDH1A1
Hydrochloric Acid SCHEMBL7749498 0.86 HBB (0.71) HPRT1MEN1KMT2ABLMALDH1A1

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
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed