SCHEMBL4201672

SCHEMBL4201672

CCCCCOC(=O)Nc1ccn([C@]2(F)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RY6 Q15077 1/20 0.32
P2RY14 Q15391 1/20 0.32
GLA P06280 1/20 0.32
CSNK2A2 P19784 1/20 0.32

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
SCHEMBL5710439 0.89 LMNA (0.49) LMNAPRMT5WDR77PKMALDH1A1
SCHEMBL30002590 0.85 LMNA (0.40) LMNAPRMT5WDR77PKMALDH1A1
SCHEMBL15055105 0.83 MAPT (0.40) LMNAPOLBMAPTP2RY6P2RY14
SCHEMBL891166 0.82 LMNA (0.40) LMNAPRMT5WDR77PKMALDH1A1
SCHEMBL15717320 0.79 PDE4D (0.55) LMNAPRMT5WDR77POLB
SCHEMBL13160995 0.79 PDE4D (0.55) LMNAPRMT5WDR77POLB
SCHEMBL5190899 0.78 PDE4D (0.37) LMNAALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL15675784 0.78 PDE4D (0.54) LMNAPRMT5WDR77POLB
SCHEMBL15675815 0.78 PDE4D (0.54) LMNAPRMT5WDR77POLB
SCHEMBL4370139 0.78 LMNA (0.54) LMNAMAPTL3MBTL1P2RY6P2RY14

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-2032989-A2 IGFBP2 BIOMARKER SCHERING CORPORATION (US) 2009-03-11 EP disclosed
WO-2008005469-A2 IGFBP2 BIOMARKER SCHERING CORPORATION (US) 2008-01-10 WO disclosed