SCHEMBL8445573

SCHEMBL8445573

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.53
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.39
HBB P68871 2/20 0.37
PNP P00491 3/20 0.34
NOS1 P29475 2/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
EDNRA P25101 1/20 0.33
HTR2A P28223 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL11378784 0.91 HPRT1 (0.54) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9019939 0.90 HPRT1 (0.50) HPRT1KMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL10502102 0.89 HPRT1 (0.53) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL7814363 0.89 HPRT1 (0.55) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL8842965 0.87 HPRT1 (0.52) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL11244155 0.86 HPRT1 (0.53) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9068090 0.85 HPRT1 (0.58) HPRT1HBBPNPNOS1USP2
SCHEMBL10557098 0.84 HPRT1 (0.46) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL11730994 0.83 HPRT1 (0.60) HPRT1KMT2AMEN1HBBPNP
SCHEMBL146427 0.83 HPRT1 (0.61) HPRT1HBBPNPUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US claimed
EP-0704445-B1 Preparation of N-9 substituted guanine compounds HOFFMANN LA ROCHE (CH) 1999-04-21 EP disclosed
US-5565565-A Preparation of N-9 substituted guanine compounds SYNTEX (U.S.A.) INC. (US) 1996-10-15 US disclosed
EP-0704445-A1 Preparation of N-9 substituted guanine compounds F. Hoffmann-La Roche AG (CH) 1996-04-03 EP disclosed
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US disclosed
US-4287188-A PARTICULARLY 9-(2-HYDROXYETHOXYMETHYL) GUANINE MONOPHOSPHATE AND SALTS, USEFUL AS ANTIVIRIAL AGENTS BURROUGHS WELLCOME CO. (US) 1981-09-01 US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 US disclosed