SCHEMBL4737592

SCHEMBL4737592

CC(=O)c1ccc(CN(C(=O)c2cccnc2)c2ccc(F)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.48
MAPK14 Q16539 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
CYP3A4 P08684 2/20 0.44
CXCR2 P25025 1/20 0.44
POLB P06746 1/20 0.43
PDK1 Q15118 6/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 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
SCHEMBL4737107 0.85 GAA (0.58) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4738966 0.83 GAA (0.54) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4737668 0.83 GAA (0.56) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4786167 0.81 GAA (0.51) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4738200 0.81 GAA (0.51) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4735056 0.80 GAA (0.50) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4737949 0.80 GAA (0.52) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4738239 0.79 TSHR (0.49) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4735150 0.79 TSHR (0.51) GAATSHRHTTMAPK14PTGDR2
SCHEMBL4737126 0.79 TSHR (0.48) GAATSHRHTTMAPK14PTGDR2

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