SCHEMBL7749604

SCHEMBL7749604

CC(C)C1OCC(Cn2cnc3c(=O)[nH]c(N)nc32)CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 7/20 0.50
BLM P54132 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
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
HIF1A Q16665 1/20 0.48
PNP P00491 3/20 0.48
TK1 P04183 2/20 0.48
HBB P68871 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
EDNRA P25101 1/20 0.47
HTR2A P28223 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8447170 0.81 HPRT1 (0.62) HPRT1BLMMEN1KMT2AALDH1A1
SCHEMBL7745011 0.80 HSP90AB1 (0.47)
SCHEMBL6270960 0.79 HPRT1 (0.66) HPRT1BLMMEN1KMT2AALDH1A1
SCHEMBL3462675 0.78 HPRT1 (0.64) HPRT1BLMMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL17186625 0.77 HPRT1 (0.63) HPRT1BLMMEN1KMT2AALDH1A1
SCHEMBL5503495 0.75 PNP (0.60) HPRT1BLMMEN1KMT2AALDH1A1
SCHEMBL6268516 0.74 HPRT1 (0.55) HPRT1BLMMEN1KMT2AALDH1A1
SCHEMBL3073606 0.74 HPRT1 (0.53) HPRT1BLMMEN1KMT2AALDH1A1
SCHEMBL20723337 0.74 PNP (0.60) HPRT1BLMMEN1KMT2AALDH1A1
SCHEMBL874736 0.73 PNP (0.64) HPRT1BLMMEN1KMT2AALDH1A1

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