SCHEMBL3632930

SCHEMBL3632930

CN(C(=O)[C@@H](N)Cc1cnc[nH]1)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
SLC7A5 Q01650 1/20 0.60
NLN Q9BYT8 3/20 0.54
HRH4 Q9H3N8 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
LMNA P02545 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL18809892 0.85 CYP3A4 (0.67) CYP3A4SLC7A5NLNHRH4HRH3
SCHEMBL23974118 0.82 NLN (0.55) CYP3A4SLC7A5NLNHRH4HRH3
SCHEMBL11298674 0.80 CYP3A4 (0.52) CYP3A4SLC7A5NLNHRH4HRH3
Histidine SCHEMBL27388700 0.80 CYP3A4 (0.88) CYP3A4SLC7A5NLNHRH4HRH3
Histidine SCHEMBL29243316 0.80 CYP3A4 (0.88) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL29245588 0.77 CYP3A4 (0.56) CYP3A4SLC7A5NLNHRH4HRH3
SCHEMBL7962292 0.77 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL13609239 0.77 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL18162806 0.77 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL18788916 0.76 CYP3A4 (0.55) CYP3A4SLC7A5NLNHRH4HRH3

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
EP-2144921-A2 PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS K.U. Leuven Research and Development (BE) 2010-01-20 EP disclosed
WO-2008104408-A2 PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2008-09-04 WO disclosed