SCHEMBL7785567

SCHEMBL7785567

COc1ccc(C(NCc2ccc(F)c(F)c2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
POLB P06746 1/20 0.36
CASR P41180 3/20 0.35
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
ROCK2 O75116 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
PRKG1 Q13976 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KLKB1 P03952 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
HPGD P15428 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
SCHEMBL7787663 0.87 TDP1 (0.40) TDP1MEN1KMT2APOLBCASR
SCHEMBL7803612 0.86 TDP1 (0.45) TDP1MEN1KMT2APOLBCASR
SCHEMBL7784888 0.85 MEN1 (0.39) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7785270 0.84 KMT2A (0.38) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL7787653 0.84 KMT2A (0.38) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL7780305 0.84 KMT2A (0.38) MEN1KMT2APOLBALDH1A1HTT
Trifluoroacetic Acid SCHEMBL7787660 0.83 TDP1 (0.43) TDP1MEN1KMT2AALDH1A1KLKB1
SCHEMBL7780429 0.82 TDP1 (0.42) TDP1MEN1KMT2APOLBCASR
SCHEMBL7785532 0.79 KMT2A (0.38) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7787592 0.79 KMT2A (0.38) MEN1KMT2APOLBALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed