SCHEMBL8535281

SCHEMBL8535281

CCCCCCCCCCCCNc1nc2c(ncn2C2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.70
ADORA3 P0DMS8 1/20 0.51
ADORA1 P30542 1/20 0.51
KDM4E B2RXH2 1/20 0.49
PNP P00491 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HIF1A Q16665 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
SCHEMBL6897208 1.00 POLA1 (0.70) POLA1ADORA3ADORA1KDM4EPNP
SCHEMBL6897217 1.00 POLA1 (0.70) POLA1ADORA3ADORA1KDM4EPNP
SCHEMBL3748702 0.96 POLA1 (0.72) POLA1ADORA3ADORA1KDM4EPNP
SCHEMBL25512701 0.96 POLA1 (0.72) POLA1ADORA3ADORA1KDM4EPNP
SCHEMBL3748707 0.96 POLA1 (0.72) POLA1ADORA3ADORA1KDM4EPNP
SCHEMBL8537214 0.93 POLA1 (0.69) POLA1KDM4EPNPLMNATP53
SCHEMBL8539812 0.93 POLA1 (0.69) POLA1KDM4EPNPLMNATP53
SCHEMBL23648123 0.89 POLA1 (0.69) POLA1KDM4EPNPLMNATP53
SCHEMBL8540848 0.89 POLA1 (0.69) POLA1KDM4EPNPLMNATP53
SCHEMBL15720909 0.89 POLA1 (0.69) POLA1KDM4EPNPLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed