SCHEMBL14293244

SCHEMBL14293244

COc1cccc(C(C)CC(=O)Nc2sc3c(c2N)CCC(COC(=O)NCc2csc(C)n2)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL1209103 0.91 ALDH1A1 (0.42) MAPTTP53L3MBTL1MEN1KMT2A
SCHEMBL14293203 0.88 ALDH1A1 (0.39) THRBMAPTLMNATP53L3MBTL1
SCHEMBL12895475 0.87 THRB (0.34) THRBMAPTLMNATP53L3MBTL1
SCHEMBL12895485 0.86 THRB (0.35) THRBMAPTLMNATP53L3MBTL1
SCHEMBL12895479 0.86 THRB (0.34) THRBMAPTLMNATP53L3MBTL1
SCHEMBL12895478 0.85 THRB (0.34) THRBMAPTLMNAL3MBTL1MEN1
SCHEMBL12895691 0.85 SLC8A1 (0.35) THRBMAPTLMNATP53L3MBTL1
SCHEMBL12895476 0.85 KMT2A (0.35) THRBMAPTLMNATP53MEN1
SCHEMBL12895367 0.82 ALDH1A1 (0.38) THRBMAPTTP53L3MBTL1MEN1
SCHEMBL12894588 0.82 THRB (0.41) THRBMAPTLMNATP53L3MBTL1

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-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed