SCHEMBL3946586

SCHEMBL3946586

COc1ccc2c(C(=O)C(=O)N(CC(=O)NCCS(C)(=O)=O)CC(=O)N(C3CCCCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3946896 0.90 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950369 0.88 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4355930 0.86 MAPT (0.57) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4158477 0.85 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950434 0.85 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950920 0.84 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4211551 0.83 MAPT (0.59) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950152 0.82 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950431 0.82 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4038215 0.81 ALDH1A1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed