SCHEMBL28976992

SCHEMBL28976992

Nc1nc(=O)n(C2(F)O[C@@H](CO)[C@H](O)[C@H]2O)cc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC29A1 Q99808 1/20 0.37
LMNA P02545 3/20 0.34
MTOR P42345 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
DNMT1 P26358 2/20 0.34
THRB P10828 1/20 0.34
MDM2 Q00987 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
POLB P06746 1/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 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
SCHEMBL1740047 0.87 ALB (0.41) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL5614116 0.86 PDE4D (0.37) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL5976411 0.79 PDE4D (0.35) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL223208 0.78 PDE3A (0.54) PDE4DPDE3ASLC29A1LMNAMTOR
Hydrochloric Acid SCHEMBL28104164 0.77 PDE3A (0.53) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL30384964 0.76 LMNA (0.42) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL7062916 0.73 ALB (0.33) ALB
SCHEMBL4418696 0.72 DNMT1 (0.32) LMNASMN1; SMN2ALDH1A1DNMT1POLB
SCHEMBL582792 0.71 PDE3A (0.52) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL5190899 0.71 PDE4D (0.37) PDE4DPDE3ASLC29A1LMNAMTOR

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
CN-110483413-B Process for the preparation of carbocyclic sugar derivatives 百缮药业(苏州)有限公司 2023-02-28 CN disclosed