SCHEMBL9019939

SCHEMBL9019939

CCCCC(=O)OCCOCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
NOS1 P29475 1/20 0.38
MAPK1 P28482 2/20 0.36
HBB P68871 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DGKA P23743 1/20 0.34
XDH P47989 1/20 0.34
TNF P01375 1/20 0.33

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
SCHEMBL8445573 0.90 HPRT1 (0.53) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL8842965 0.88 HPRT1 (0.52) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9068090 0.84 HPRT1 (0.58) HPRT1NOS1HBB
SCHEMBL11244155 0.82 HPRT1 (0.53) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL10481461 0.82 ALDH1A1 (0.47) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL146427 0.79 HPRT1 (0.61) HPRT1HBB
SCHEMBL6748740 0.79 HPRT1 (0.57) HPRT1KMT2AMEN1NOS1MAPK1
SCHEMBL710905 0.79 HPRT1 (0.49) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL710910 0.79 HPRT1 (0.49) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL7222868 0.79 HPRT1 (0.49) HPRT1KMT2AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351215-B1 Ester of 9-(2-hydroxyethoxymethyl) guanine WELLCOME FOUND (GB) 1996-06-19 EP claimed
US-5079252-A Valeryl ester of acyclovir improves bioavailability of acylclovir, viricides, treatment of herpes BUROUGHS WELCOME CO. (US) 1992-01-07 US claimed
JP-2073086-A None JP disclosed
EP-0351215-B1 Ester of 9-(2-hydroxyethoxymethyl) guanine WELLCOME FOUND (GB) 1996-06-19 EP disclosed
US-5079252-A Valeryl ester of acyclovir improves bioavailability of acylclovir, viricides, treatment of herpes BUROUGHS WELCOME CO. (US) 1992-01-07 US disclosed
JP-H0273086-A THERAPEUTIC COMPOUND WELLCOME FOUND LTD:THE 1990-03-13 JP disclosed
EP-0351215-A2 Ester of 9-(2-hydroxyethoxymethyl) guanine THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-17 EP disclosed