SCHEMBL7745038

SCHEMBL7745038

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 12/20 0.52
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ADRA1A P35348 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE3A Q14432 1/20 0.42
HBB P68871 2/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
VCP P55072 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL7749536 0.88 HPRT1 (0.67) HPRT1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7749497 0.83 HPRT1 (0.60) HPRT1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL13127503 0.81 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8839866 0.81 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL10533769 0.80 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7749458 0.77 KDM4E (0.51) HPRT1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5930196 0.77 ALDH1A1 (0.59) HPRT1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL23710644 0.76 PDE3A (0.56) HPRT1ALDH1A1MEN1KMT2APDE3A
SCHEMBL7749489 0.76 KDM4E (0.49) HPRT1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7745036 0.75 PDE3A (0.71) HPRT1ALDH1A1HSD17B10MEN1KMT2A

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