SCHEMBL2524005

SCHEMBL2524005

O=c1[nH]c2nc(C3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]c(=O)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
STAT6 P42226 1/20 0.46
HIF1A Q16665 1/20 0.46
PYGL P06737 6/20 0.43
UMPS P11172 1/20 0.41

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
SCHEMBL5079246 0.95 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL4361970 0.95 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL3051902 0.78 KDM4E (0.45) KDM4EGMNNLMNAMAPTBLM
SCHEMBL9234118 0.78 KDM4E (0.45) KDM4EGMNNLMNAMAPTBLM
SCHEMBL8463341 0.78 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL8466249 0.78 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL30697964 0.76 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL8465320 0.76 SMN1; SMN2 (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL11281347 0.76 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL8465125 0.76 SMN1; SMN2 (0.46) KDM4EGMNNLMNAMAPTBLM

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
US-8034802-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed