SCHEMBL7196190

SCHEMBL7196190

Nc1nc2c(ncn2CCC(CO)COP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.58
PNP P00491 4/20 0.58
POLB P06746 2/20 0.57
TK1 P04183 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
BLM P54132 1/20 0.56
VCP P55072 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
POLA1 P09884 1/20 0.56
POLG P54098 1/20 0.56

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
Ammonia Solution, Strong SCHEMBL5930250 0.99 HPRT1 (0.57) HPRT1PNPPOLBTK1MEN1
SCHEMBL12732295 0.92 HPRT1 (0.57) HPRT1PNPPOLBTK1MEN1
Penciclovir Triphosphate SCHEMBL1664402 0.91 POLG (0.65) HPRT1PNPPOLBTK1MEN1
Penciclovir Triphosphate SCHEMBL30945294 0.91 POLG (0.65) HPRT1PNPPOLBTK1MEN1
SCHEMBL9824169 0.91 HPRT1 (0.60) HPRT1PNPTK1MEN1ALDH1A1
Penciclovir SCHEMBL4240104 0.90 HPRT1 (0.66) HPRT1PNPTK1MEN1ALDH1A1
Penciclovir SCHEMBL454090 0.90 HPRT1 (0.66) HPRT1PNPTK1MEN1ALDH1A1
SCHEMBL12800326 0.89 HPRT1 (0.57) HPRT1PNPPOLBTK1MEN1
Penciclovir SCHEMBL3495 0.88 TK1 (0.70) HPRT1PNPTK1MEN1ALDH1A1
SCHEMBL15340416 0.87 HPRT1 (0.55) HPRT1PNPPOLBPOLA1POLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-6579981-B1 Treating herpes virus NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-06-17 US disclosed
US-6573378-B1 9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine having a purity of greater than 95% by weight or it's sodium salt NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-06-03 US disclosed
US-5075445-A GUANINE DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1991-12-24 US disclosed
EP-0141927-B1 ANTIVIRAL GUANINE DERIVATIVES BEECHAM GROUP PLC (GB) 1991-10-30 EP disclosed
EP-0152316-B1 SUBSTITUTED BUTYL GUANINES AND THEIR UTILIZATION IN ANTIVIRAL COMPOSITIONS MERCK & CO. INC. (US) 1989-07-26 EP disclosed
US-4845084-A HERPES VIRUSES, AIDS MERCK & CO., INC. (US) 1989-07-04 US disclosed
EP-0152316-A1 Substituted butyl guanines and their utilization in antiviral compositions MERCK & CO. INC. (US) 1985-08-21 EP disclosed
EP-0141927-A2 Antiviral guanine derivatives BEECHAM GROUP PLC (GB) 1985-05-22 EP disclosed