SCHEMBL4739768

SCHEMBL4739768

O=C(c1cccnc1)N(Cc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
PDK1 Q15118 6/20 0.49
MLYCD O95822 1/20 0.45
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 3/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
GRM4 Q14833 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
VNN1 O95497 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4737107 0.88 GAA (0.58) GAATSHRPDK1HTTCYP3A4
SCHEMBL4737668 0.80 GAA (0.56) GAATSHRPDK1MLYCDHTT
SCHEMBL4737949 0.77 GAA (0.52) GAATSHRPDK1MLYCDHTT
SCHEMBL5260135 0.77 TSHR (0.44) GAATSHRPDK1HTTHDAC6
SCHEMBL4786167 0.76 GAA (0.51) GAATSHRPDK1MLYCDHTT
SCHEMBL4738782 0.76 MAPK14 (0.45) GAATSHRPDK1HDAC6HDAC8
SCHEMBL4738966 0.74 GAA (0.54) GAATSHRPDK1MLYCDHTT
SCHEMBL4737592 0.74 GAA (0.56) GAATSHRPDK1HTTCYP3A4
SCHEMBL4738735 0.73 AGER (0.49) GAATSHR
SCHEMBL4738946 0.73 ALDH1A1 (0.43) GAATSHRPDK1HTTHDAC6

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed