SCHEMBL9569647

SCHEMBL9569647

Nc1nc2c(c(=O)[nH]1)NCN2COC(C=CP(=O)(O)O)CO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 13/20 0.59
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
VCP P55072 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
PNP P00491 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
SCHEMBL9569467 0.88 HPRT1 (0.52) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9294933 0.82 HPRT1 (0.62) HPRT1PNP
SCHEMBL9569639 0.81 HPRT1 (0.56) HPRT1PNP
SCHEMBL147641 0.81 HPRT1 (0.67) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL8896070 0.81 HPRT1 (0.74) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9569709 0.80 HPRT1 (0.59) HPRT1ALDH1A1BLMKMT2APNP
SCHEMBL7132437 0.80 HPRT1 (0.60) HPRT1MEN1ALDH1A1LMNACYP3A4
Phosphoric Acid SCHEMBL9471917 0.78 HPRT1 (0.59) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9569464 0.78 HPRT1 (0.58) HPRT1ALDH1A1BLMKMT2APNP
SCHEMBL9295538 0.78 HPRT1 (0.51) HPRT1PNP

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