SCHEMBL9538178

SCHEMBL9538178

Nc1nc2c(ncn2CO[C@H](CCP(=O)(O)O)C(O)(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.57
PNP P00491 9/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 1/20 0.52
VCP P55072 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL9538160 1.00 HPRT1 (0.57) HPRT1PNPMEN1ALDH1A1LMNA
SCHEMBL8990372 0.78 MEN1 (0.78) HPRT1PNPMEN1ALDH1A1LMNA
SCHEMBL9537422 0.78 MEN1 (0.78) HPRT1PNPMEN1ALDH1A1LMNA
SCHEMBL8990305 0.78 MEN1 (0.78) HPRT1PNPMEN1ALDH1A1LMNA
Phosphoric Acid SCHEMBL9538313 0.77 MEN1 (0.77) HPRT1PNPMEN1ALDH1A1LMNA
SCHEMBL9538298 0.76 MEN1 (0.64) HPRT1PNPMEN1ALDH1A1LMNA
SCHEMBL9536237 0.75 MEN1 (0.46) HPRT1PNPMEN1ALDH1A1KMT2A
SCHEMBL9537658 0.75 BLM (0.65) HPRT1PNPMEN1ALDH1A1LMNA
Ganciclovir SCHEMBL6378671 0.74 BLM (0.82) HPRT1PNPMEN1ALDH1A1LMNA
SCHEMBL9538347 0.74 HPRT1 (0.66) 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
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO claimed