SCHEMBL4960141

SCHEMBL4960141

COCc1nc(C(=O)O)c(NC(=O)C2COc3ccccc3O2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
KDM4E B2RXH2 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 2/20 0.52
NPC1 O15118 8/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL5074408 0.89 L3MBTL1 (0.62) L3MBTL1KDM4ENPSR1ALDH1A1HPGD
SCHEMBL4957699 0.73 L3MBTL1 (0.60) POLBL3MBTL1KDM4ENPSR1ALDH1A1
SCHEMBL14522815 0.72 TP53 (0.48) L3MBTL1NPSR1TSHRMAPTTP53
SCHEMBL4960279 0.71 L3MBTL1 (0.58) POLBL3MBTL1KDM4ENPSR1ALDH1A1
SCHEMBL11013240 0.69 HPGD (0.75) POLBL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL7491132 0.68 NPC1 (0.62) POLBL3MBTL1KDM4ENPSR1ALDH1A1
SCHEMBL30606873 0.68 NPC1 (0.62) POLBL3MBTL1KDM4ENPSR1ALDH1A1
SCHEMBL30606872 0.68 NPC1 (0.62) POLBL3MBTL1KDM4ENPSR1ALDH1A1
SCHEMBL13779304 0.68 NPC1 (1.00) L3MBTL1KDM4ENPSR1ALDH1A1HPGD
SCHEMBL4896320 0.67 L3MBTL1 (0.54) L3MBTL1KDM4ENPSR1ALDH1A1HPGD

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
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed