SCHEMBL5079246

SCHEMBL5079246

O=c1[nH]c(=O)c2[nH]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nc2[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
SCHEMBL4361970 1.00 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL2524005 0.95 KDM4E (0.46) KDM4EGMNNLMNAMAPTBLM
SCHEMBL375988 0.77 PNP (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL7948406 0.77 PNP (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL2185989 0.77 PNP (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL313768 0.77 PNP (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL8789697 0.77 PNP (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL10661597 0.77 PNP (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL1682962 0.77 PNP (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6266811 0.76 PNP (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545545-A4 COMPOUNDS WITH THE BICYCLO 4.2.1 NONANE SYSTEM FOR THE TREATMENT OF i FLAVIVIRIDAE /i INFECTIONS PHARMASSET INC (US) 2008-09-03 EP disclosed
EP-1545545-A2 COMPOUNDS WITH THE BICYCLO 4.2.1 NONANE SYSTEM FOR THE TREATMENT OF i FLAVIVIRIDAE /i INFECTIONS Pharmasset, Inc. (US) 2005-06-29 EP disclosed
WO-2004013300-A2 COMPOUNDS WITH THE BICYCLO[4.2.1]NONANE SYSTEM FOR THE TREATMENT OF FLAVIVIRIDAE INFECTIONS PHARMASSET INC. (US) 2004-02-12 WO disclosed