SCHEMBL20230464

SCHEMBL20230464

CCNc1nc2c(ncn2[C@@H]2C[C@@H]3[C@H](O2)[C@H](OC(C)=O)C[C@H]3O)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.36
HINT1 P49773 3/20 0.36
P2RY1 P47900 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 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
SCHEMBL20217051 0.91 TAS1R3 (0.53) POLA1TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL8540848 0.78 POLA1 (0.69) POLA1KDM4E
SCHEMBL15720909 0.78 POLA1 (0.69) POLA1KDM4E
SCHEMBL23648123 0.78 POLA1 (0.69) POLA1KDM4E
SCHEMBL6283863 0.78 POLA1 (0.69) POLA1KDM4E
SCHEMBL26455488 0.78 TAS1R3 (0.54) POLA1TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL6560800 0.75 TAS1R3 (0.56) POLA1TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL19325459 0.75 TAS1R3 (0.56) POLA1TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL26455476 0.74 TAS1R3 (0.52) POLA1TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL9141785 0.73 KDM4E (0.51) POLA1TAS1R3TAS1R1KDM4EALDH1A1

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-2018099946-A1 NOVEL BICYCLIC NUCLEOSIDES AND OLIGOMERS PREPARED THEREFROM Universität Bern (CH) 2018-06-07 WO disclosed