SCHEMBL21100416

SCHEMBL21100416

N#C[C@]1(n2ccc(N)nc2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.45
PDE4D Q08499 1/20 0.45
SLC29A1 Q99808 1/20 0.45
LMNA P02545 5/20 0.45
MTOR P42345 2/20 0.45
THRB P10828 1/20 0.45
MDM2 Q00987 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DNMT1 P26358 2/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL2057034 0.90 PDE3A (0.44) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL3510472 0.88 PDE3A (0.43) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL18280905 0.84 DNMT1 (0.48) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL1939478 0.82 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL3424602 0.82 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL28379714 0.82 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL15719855 0.82 PDE3A (0.38) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL7794942 0.81 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL51650 0.81 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL4971926 0.81 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR

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
WO-2022165386-A1 LNP AND LMP DELIVERY OF ANTIVIRAL NUCLEOTIDE 5'-PHOSPHATES VIRBIS LLC (US) 2022-08-04 WO disclosed
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed