SCHEMBL880299

SCHEMBL880299

O=C1CC(c2ccc3c(c2)OCO3)c2ccc3ccccc3c2N1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
MAPT P10636 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 6/20 0.61
KMT2A Q03164 3/20 0.61
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 1/20 0.58
IDO1 P14902 1/20 0.46
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL880274 0.86 HSD17B10 (0.56) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL14047392 0.84 HSD17B10 (0.56) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL880427 0.84 LMNA (0.56) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL880344 0.82 TP53 (0.65) LMNAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL880438 0.82 LMNA (0.74) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL852442 0.81 LMNA (0.72) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL880248 0.81 MAPT (0.64) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL880231 0.80 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL10280618 0.80 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL852380 0.80 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTALDH1A1

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