SCHEMBL7947091

SCHEMBL7947091

COc1ccc2c(C(=O)C(=O)N(CC(=O)NC3CCOCC3)CC3CCCCC3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MITF O75030 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
PKM P14618 5/20 0.43
NPSR1 Q6W5P4 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
AGTR1 P30556 1/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 2/20 0.41

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
SCHEMBL7985731 0.94 MAPT (0.55) ALDH1A1MAPTL3MBTL1MITFMEN1
SCHEMBL4305038 0.91 MAPT (0.51) ALDH1A1MAPTL3MBTL1MITFMEN1
SCHEMBL3950152 0.88 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1MITFMEN1
SCHEMBL4306692 0.88 HDAC1 (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7992052 0.86 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950155 0.86 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1MITFMEN1
SCHEMBL3129608 0.85 MAPT (0.58) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3122360 0.84 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7948285 0.84 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4307521 0.83 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1MITFMEN1

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
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed