SCHEMBL7963868

SCHEMBL7963868

CCOC(=O)c1ccc2[nH]c(SCc3cccc(SCCOCCOCCOCCOCCOC)c3C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 5/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
RECQL P46063 1/20 0.42
AR P10275 2/20 0.38
HTT P42858 2/20 0.37
HCRTR1 O43613 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 3/20 0.36
ACMSD Q8TDX5 1/20 0.36
POLB P06746 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7977451 0.91 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9ALMNANPC1
SCHEMBL7964022 0.84 AR (0.41) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL7974429 0.84 AR (0.42) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL7974426 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL7974431 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL7964043 0.77 MAPT (0.50) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL13735109 0.76 MAPT (0.55) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL7975451 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL7974298 0.73 POLB (0.50) SMN1; SMN2MAPTTP53RAB9ALMNA
SCHEMBL7963977 0.73 LMNA (0.49) SMN1; SMN2MAPTTP53RAB9ALMNA

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed