SCHEMBL7938658

SCHEMBL7938658

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB1 Q9H4B7 2/20 0.39
HTR4 Q13639 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL7992052 0.86 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7985731 0.86 MAPT (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3129608 0.86 MAPT (0.58) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3122360 0.85 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7947627 0.85 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7948285 0.84 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4566011 0.84 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4307521 0.84 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4305038 0.84 MAPT (0.51) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7949180 0.83 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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