SCHEMBL8268291

SCHEMBL8268291

COc1ccc(CC(NC(=O)C2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCOCC2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 6/20 0.52
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 3/20 0.48
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
BDKRB1 P46663 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL630185 1.00 KCNQ1 (0.52) KCNQ1HCRTR1HCRTR2POLBLMNA
SCHEMBL1382694 1.00 KCNQ1 (0.52) KCNQ1HCRTR1HCRTR2POLBLMNA
SCHEMBL630034 0.91 KCNQ1 (0.56) KCNQ1HCRTR1HCRTR2POLBMMP1
SCHEMBL1380661 0.91 KCNQ1 (0.56) KCNQ1HCRTR1HCRTR2POLBMMP1
SCHEMBL630021 0.90 KCNQ1 (0.44) KCNQ1HCRTR1HCRTR2POLBLMNA
SCHEMBL1383354 0.85 KCNQ1 (0.48) KCNQ1HCRTR1HCRTR2POLBBDKRB1
SCHEMBL630109 0.85 MEN1 (0.48) KCNQ1HCRTR1HCRTR2POLBBDKRB1
SCHEMBL629996 0.85 KCNQ1 (0.48) KCNQ1HCRTR1HCRTR2POLBBDKRB1
SCHEMBL630207 0.83 KCNQ1 (0.54) KCNQ1HCRTR1HCRTR2LMNATSHR
SCHEMBL1382042 0.83 KCNQ1 (0.54) KCNQ1HCRTR1HCRTR2LMNATSHR

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-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed