SCHEMBL6848397

SCHEMBL6848397

CCOC(=O)c1ccc2noc(-c3ccccc3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
POLB P06746 3/20 0.78
NPC1 O15118 2/20 0.74
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 3/20 0.68
IP6K1 Q92551 12/20 0.67
IP6K3 Q96PC2 10/20 0.67
IP6K2 Q9UHH9 10/20 0.67
TP53 P04637 1/20 0.67
HSD17B10 Q99714 1/20 0.67
RAB9A P51151 1/20 0.60
HSP90AA1 P07900 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL10016470 0.85 NPC1 (1.00) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL4027834 0.81 ALDH1A1 (1.00) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL10396398 0.81 IP6K1 (1.00) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL6849379 0.81 MEN1 (0.67) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL14434145 0.79 IP6K1 (0.78) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL25989723 0.79 IP6K1 (1.00) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL26054580 0.78 ALDH1A1 (0.73) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL25990455 0.78 IP6K1 (1.00) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL25990059 0.78 IP6K1 (0.78) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL25990489 0.78 IP6K1 (0.80) MEN1KMT2APOLBNPC1ALDH1A1

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-2286808-A1 Cytohesin inhibitors Rheinische Friedrich-Wilhelms Universität (DE) 2011-02-23 EP disclosed