SCHEMBL10098564

SCHEMBL10098564

CCC1OC(n2cnc3c(=O)[nH]cnc32)CC1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.65
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ALB P02768 1/20 0.57
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.50
STING1 Q86WV6 3/20 0.48
POLA1 P09884 1/20 0.47
POLB P06746 1/20 0.47
P2RX3 P56373 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PNP P00491 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL13239716 1.00 TYMP (0.65) TYMPLMNAALDH1A1ALBMAPK1
SCHEMBL12352411 1.00 TYMP (0.65) TYMPLMNAALDH1A1ALBMAPK1
Deoxyinosine SCHEMBL25819948 0.90 TYMP (0.66) TYMPLMNAALDH1A1ALBMAPK1
Deoxyinosine SCHEMBL5982287 0.90 TYMP (0.66) TYMPLMNAALDH1A1ALBMAPK1
Deoxyinosine SCHEMBL12222465 0.90 TYMP (0.66) TYMPLMNAALDH1A1ALBMAPK1
Deoxyinosine SCHEMBL24308 0.90 TYMP (0.66) TYMPLMNAALDH1A1ALBMAPK1
Deoxyinosine SCHEMBL889715 0.90 TYMP (0.66) TYMPLMNAALDH1A1ALBMAPK1
Deoxyinosine SCHEMBL12570174 0.90 TYMP (0.66) TYMPLMNAALDH1A1ALBMAPK1
SCHEMBL26757542 0.88 TYMP (0.70) TYMPLMNAALDH1A1ALBMAPK1
SCHEMBL26757236 0.88 TYMP (0.70) TYMPLMNAALDH1A1ALBMAPK1

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-2415776-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed