SCHEMBL880271

SCHEMBL880271

COc1ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 5/20 0.54
IDO1 P14902 1/20 0.48
POLB P06746 1/20 0.47
MTNR1A P48039 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL14942712 0.88 SMN1; SMN2 (0.64) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL880388 0.86 LMNA (0.66) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL852442 0.86 LMNA (0.72) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL880485 0.85 LMNA (0.58) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL14095231 0.84 LMNA (0.57) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL880270 0.84 TP53 (0.73) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL880430 0.84 LMNA (0.67) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL880450 0.84 LMNA (0.66) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL10280365 0.84 LMNA (0.66) LMNAALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL10280289 0.83 LMNA (0.62) LMNAALDH1A1MAPK1TDP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed