SCHEMBL7948406

SCHEMBL7948406

Nc1nc2nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]c2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 5/20 0.47
MAPT P10636 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
STAT6 P42226 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1682962 1.00 PNP (0.47) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL10661597 1.00 PNP (0.47) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL2185989 1.00 PNP (0.47) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL8789697 1.00 PNP (0.47) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL375988 1.00 PNP (0.47) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL313768 1.00 PNP (0.47) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL6266811 0.99 PNP (0.47) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL8790893 0.85 KDM4E (0.44) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL3901295 0.85 KDM4E (0.44) PNPMAPTCYP3A4KDM4EGMNN
SCHEMBL10663518 0.80 HIF1A (0.46) MAPTCYP3A4KDM4EGMNNLMNA

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-6262254-B1 8-FLUORO-9-((2-HYDROXYETHOXY)METHYL))GUANINE / (8-FLUOROACYCLOVIR) USEFUL AS ANTICANCER AND ANTIVIRAL AGENT THE REGENTS OF UNIV. OF CALIFORNIA 2001-07-17 US disclosed
US-5861503-A FLUORINATING WITH FLUORINE OR ACETYL HYPOFLUORITE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-01-19 US disclosed