SCHEMBL7197096

SCHEMBL7197096

Nc1nc2c(c(=O)[nH]1)NCN2CCC(CO)CO.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.57
ALDH1A1 P00352 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
VCP P55072 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NOS1 P29475 3/20 0.33
TK1 P04183 1/20 0.33
USP2 O75604 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PAH P00439 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL146837 0.99 HPRT1 (0.58) HPRT1ALDH1A1BLMKMT2AMEN1
SCHEMBL7192798 0.97 HPRT1 (0.57) HPRT1ALDH1A1BLMKMT2AMEN1
Water SCHEMBL10414024 0.97 HPRT1 (0.57) HPRT1ALDH1A1BLMKMT2AMEN1
Phosphoric Acid SCHEMBL1664405 0.94 HPRT1 (0.62) HPRT1
SCHEMBL10508833 0.93 HPRT1 (0.55) HPRT1NOS1TK1USP2CASP7
SCHEMBL60176 0.92 HPRT1 (0.54) HPRT1ALDH1A1BLMKMT2ANOS1
SCHEMBL10511442 0.91 HPRT1 (0.53) HPRT1NOS1TK1
SCHEMBL571080 0.88 HPRT1 (0.60) HPRT1ALDH1A1BLMKMT2ANOS1
SCHEMBL7745028 0.87 HPRT1 (0.64) HPRT1ALDH1A1BLMKMT2ANOS1
SCHEMBL10920053 0.86 HPRT1 (0.56) HPRT1ALDH1A1BLMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0141927-A2 Antiviral guanine derivatives BEECHAM GROUP PLC (GB) 1985-05-22 EP disclosed