SCHEMBL9569645

SCHEMBL9569645

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.58
PNP P00491 8/20 0.57
TK1 P04183 1/20 0.56
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.53
VCP P55072 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL9569605 1.00 HPRT1 (0.58) HPRT1PNPTK1MEN1ALDH1A1
SCHEMBL9294938 0.90 HPRT1 (0.60) HPRT1PNPTK1MEN1ALDH1A1
SCHEMBL9294925 0.90 HPRT1 (0.60) HPRT1PNPTK1MEN1ALDH1A1
SCHEMBL9569446 0.88 HPRT1 (0.60) HPRT1PNPTK1
SCHEMBL9569450 0.88 HPRT1 (0.60) HPRT1PNPTK1
SCHEMBL10508111 0.85 TK1 (0.63) HPRT1PNPTK1MEN1ALDH1A1
Penciclovir SCHEMBL454090 0.84 HPRT1 (0.66) HPRT1PNPTK1MEN1ALDH1A1
Penciclovir SCHEMBL4240104 0.84 HPRT1 (0.66) HPRT1PNPTK1MEN1ALDH1A1
Buciclovir SCHEMBL571385 0.82 HPRT1 (0.67) HPRT1PNPTK1MEN1ALDH1A1
SCHEMBL9295547 0.82 HPRT1 (0.50) HPRT1PNPMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP claimed