SCHEMBL9055682

SCHEMBL9055682

Nc1nc2c(c(=O)[nH]1)NCN2CCC(CO)OCP(=O)(O)O

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 15/20 0.81
FGFR1 P11362 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
TYMP P19971 1/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
VCP P55072 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL84258 0.90 HPRT1 (1.00) HPRT1FGFR1SLC22A6TYMPMEN1
SCHEMBL9417241 0.83 HPRT1 (0.74) HPRT1FGFR1SLC22A6TYMPMEN1
SCHEMBL8896070 0.83 HPRT1 (0.74) HPRT1FGFR1SLC22A6MEN1ALDH1A1
Phosphoric Acid SCHEMBL1664405 0.83 HPRT1 (0.62) HPRT1
SCHEMBL9189461 0.82 HPRT1 (1.00) HPRT1FGFR1SLC22A6TYMP
SCHEMBL64568 0.81 HPRT1 (1.00) HPRT1TYMP
SCHEMBL146837 0.80 HPRT1 (0.58) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL4713155 0.80 HPRT1 (0.76) HPRT1TYMPCYP3A4
Phosphoric Acid SCHEMBL3497655 0.80 HPRT1 (0.98) HPRT1TYMP
Phosphoric Acid SCHEMBL15054256 0.79 HPRT1 (0.74) HPRT1TYMPCYP3A4

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-0269947-B2 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives ACAD OF SCIENCE CZECH REPUBLIC (CS) 1996-10-16 EP claimed
EP-0269947-A1 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1988-06-08 EP claimed