SCHEMBL6886952

SCHEMBL6886952

CC(=O)Nc1nc(Cl)c2[nH]c([C@@H]3O[C@H](CO)[C@H](OS(C)(=O)=O)[C@H]3O)nc2n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL6881897 0.89 ALDH1A1 (0.32)
SCHEMBL6889023 0.86 LMNA (0.36) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6886930 0.80 KDM4E (0.38) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6880948 0.75 BCHE (0.33) ACHEBCHE
SCHEMBL6884766 0.73 TSHR (0.44) ACHELMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL6885470 0.73 KDM4E (0.32) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6880481 0.72 SMN1; SMN2 (0.34) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6886954 0.71 ACHE (0.56) ACHELMNAMAPT
SCHEMBL6886927 0.66 PNP (0.31) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6888251 0.65 ACHE (0.36) ACHEBCHE

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
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed