SCHEMBL7896853

SCHEMBL7896853

Nc1ncn([C@@H]2O[C@H](CO[C@H]3O[C@@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
DNMT1 P26358 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
HBB P68871 1/20 0.52
PMP22 Q01453 1/20 0.52
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
PNP P00491 1/20 0.45
GSK3A P49840 4/20 0.45
RPS6KA3 P51812 4/20 0.45

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
SCHEMBL2295858 0.87 MEN1 (0.58) ALDH1A1HTTGMNNLMNATP53
SCHEMBL13376162 0.87 MEN1 (0.58) ALDH1A1HTTGMNNLMNATP53
SCHEMBL10057756 0.87 MEN1 (0.58) ALDH1A1HTTGMNNLMNATP53
SCHEMBL13019185 0.87 MEN1 (0.58) ALDH1A1HTTGMNNLMNATP53
SCHEMBL20078065 0.87 MEN1 (0.58) ALDH1A1HTTGMNNLMNATP53
SCHEMBL15705224 0.87 MEN1 (0.58) ALDH1A1HTTGMNNLMNATP53
SCHEMBL7892283 0.78 MEN1 (0.76) ALDH1A1HTTLMNAMEN1USP2
SCHEMBL10260643 0.78 MEN1 (0.58) ALDH1A1HTTLMNATP53MEN1
SCHEMBL15702572 0.78 MEN1 (0.58) ALDH1A1HTTLMNATP53MEN1
SCHEMBL524073 0.77 LMNA (0.79) ALDH1A1HTTGMNNLMNATP53

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-1027359-A4 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS (US) 2001-07-25 EP disclosed
EP-1027359-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN Pharmaceuticals, Inc. (US) 2000-08-16 EP disclosed
WO-1998016186-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS, INC. (US) 1998-04-23 WO disclosed