SCHEMBL880388

SCHEMBL880388

Cc1ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.61
HTT P42858 1/20 0.61
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 1/20 0.60
IDO1 P14902 2/20 0.51
TP53 P04637 5/20 0.50
SIRT1 Q96EB6 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL852442 0.89 LMNA (0.72) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL880231 0.87 MAPT (0.68) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL880450 0.87 LMNA (0.66) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL880430 0.87 LMNA (0.67) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL880272 0.86 LMNA (0.62) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL880271 0.86 LMNA (0.62) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL880425 0.86 LMNA (0.62) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL10280289 0.86 LMNA (0.62) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL10280365 0.84 LMNA (0.66) LMNAALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL10280319 0.84 LMNA (0.72) LMNAALDH1A1TDP1MAPK1SMN1; SMN2

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
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed