SCHEMBL880458

SCHEMBL880458

Cc1cc2c(cc1C)C(c1ccccc1C)CC(=O)N2

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
LMNA P02545 5/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 2/20 0.56
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50

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
SCHEMBL880460 0.87 KMT2A (0.64) KMT2AMEN1LMNATP53MAPT
SCHEMBL2529914 0.79 DDB1 (0.71) LMNAALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL880350 0.79 LMNA (1.00) KMT2AMEN1LMNATP53MAPT
SCHEMBL880366 0.77 TP53 (0.67) KMT2AMEN1LMNATP53MAPT
SCHEMBL10280290 0.76 LMNA (0.70) KMT2AMEN1LMNATP53MAPT
SCHEMBL880459 0.75 SMN1; SMN2 (0.66) KMT2AMEN1LMNATP53MAPT
SCHEMBL10280347 0.75 KMT2A (0.70) KMT2AMEN1LMNATP53MAPT
SCHEMBL880218 0.74 ALDH1A1 (0.61) KMT2AMEN1LMNATP53MAPT
SCHEMBL880352 0.74 KMT2A (0.73) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL19270408 0.72 ALDH1A1 (0.72) KMT2AMEN1LMNAMAPTALDH1A1

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