SCHEMBL14501075

SCHEMBL14501075

Nc1nc2c(ncn2COCCOC(=O)COCCOCC(=O)OCCOCn2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.73
HBB P68871 2/20 0.73
BLM P54132 2/20 0.73
TSHR P16473 2/20 0.73
USP2 O75604 1/20 0.73
EDNRA P25101 1/20 0.73
HTR2A P28223 1/20 0.73
RECQL P46063 1/20 0.73
HSD17B10 Q99714 1/20 0.73
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
MAPK1 P28482 1/20 0.70
HPRT1 P00492 3/20 0.66
POLG P54098 1/20 0.63
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
NFKB1 P19838 1/20 0.57
VCP P55072 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL14501172 0.98 PNP (0.73) PNPHBBBLMTSHRUSP2
SCHEMBL14501071 0.95 MEN1 (0.68) PNPHBBBLMTSHRUSP2
SCHEMBL14501100 0.94 MEN1 (0.67) PNPHBBBLMTSHRUSP2
SCHEMBL14501171 0.94 PNP (0.67) PNPHBBBLMTSHRUSP2
SCHEMBL12088904 0.90 PNP (0.71) PNPHBBBLMTSHRUSP2
SCHEMBL8445568 0.90 MEN1 (0.73) PNPHBBBLMTSHRUSP2
Glycyl Ester Of Acyclovir SCHEMBL10502091 0.90 PNP (0.71) PNPHBBBLMTSHRUSP2
SCHEMBL14501173 0.90 MEN1 (0.65) PNPHBBBLMTSHRUSP2
SCHEMBL14421640 0.88 PNP (0.74) PNPHBBBLMTSHRUSP2
SCHEMBL8842958 0.88 PNP (0.69) PNPHBBBLMTSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214710-B2 Permeable, water soluble, non-irritating prodrugs of chemotherapeutic agents with oxaalkanoic acids UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-7214710-B2 Permeable, water soluble, non-irritating prodrugs of chemotherapeutic agents with oxaalkanoic acids UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2007-05-08 US disclosed