SCHEMBL4737668

SCHEMBL4737668

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.47
MAPK14 Q16539 3/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
PDK1 Q15118 5/20 0.45
CXCR2 P25025 1/20 0.42
PTGS2 P35354 1/20 0.41
MLYCD O95822 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 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
SCHEMBL4738966 0.90 GAA (0.54) GAATSHRPTGDR2MAPK14HTT
SCHEMBL4786167 0.87 GAA (0.51) GAATSHRPTGDR2MAPK14HTT
SCHEMBL4735056 0.86 GAA (0.50) GAATSHRPTGDR2MAPK14HTT
SCHEMBL4737132 0.86 MAPK14 (0.44) GAATSHRMAPK14PDK1CXCR2
SCHEMBL4737949 0.86 GAA (0.52) GAATSHRPTGDR2MAPK14HTT
SCHEMBL4737107 0.85 GAA (0.58) GAATSHRPTGDR2MAPK14HTT
SCHEMBL4737592 0.83 GAA (0.56) GAATSHRPTGDR2MAPK14HTT
SCHEMBL8193274 0.82 MAPK14 (0.42) GAATSHRMAPK14HTTPDK1
SCHEMBL4740298 0.81 MAPK14 (0.39) MAPK14PDK1CXCR2HDAC6HDAC11
SCHEMBL4739768 0.80 GAA (0.55) GAATSHRHTTPDK1MLYCD

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