SCHEMBL4735448

SCHEMBL4735448

O=C(c1cccnc1)N(Cc1ccc(NC2CCCC2)nc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.55
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PDK1 Q15118 2/20 0.46
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HCAR3 P49019 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CXCR2 P25025 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4737583 0.90 GAA (0.46) MAPK14GAATSHRPDK1HTT
SCHEMBL3826441 0.81 MAPK14 (0.49) MAPK14PDK1HCAR3
SCHEMBL4737107 0.80 GAA (0.58) MAPK14GAATSHRPDK1HTT
SCHEMBL4737668 0.78 GAA (0.56) MAPK14GAATSHRPDK1HTT
SCHEMBL4737592 0.78 GAA (0.56) MAPK14GAATSHRPDK1HTT
SCHEMBL4735150 0.78 TSHR (0.51) MAPK14GAATSHRPDK1HTT
SCHEMBL4733572 0.78 TSHR (0.45) MAPK14GAATSHRPDK1HTT
SCHEMBL4737958 0.78 TSHR (0.48) MAPK14GAATSHRPDK1HTT
SCHEMBL4787168 0.77 TSHR (0.45) MAPK14GAATSHRPDK1HTT
SCHEMBL4738966 0.77 GAA (0.54) MAPK14GAATSHRPDK1HTT

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