SCHEMBL7656019

SCHEMBL7656019

Cc1cccc(Cl)c1NCCCBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
PTGS2 P35354 3/20 0.38
MAPK14 Q16539 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NR4A2 P43354 1/20 0.35
LCK P06239 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CXCL8 P10145 1/20 0.33

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
SCHEMBL9598966 0.87 MAPT (0.39) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL7658940 0.83 GAA (0.45) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL7658960 0.83 GAA (0.41) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL3892859 0.82 MAPT (0.38) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL28956626 0.81 ALDH1A1 (0.39) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL11662825 0.80 MAPK14 (0.51) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL7655803 0.80 MAPK14 (0.40) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL16301207 0.80 SMN1; SMN2 (0.51) GAAPTGS2MAPK14KDM4EMEN1
SCHEMBL7650705 0.79 GAA (0.39) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL7656523 0.76 PTGS2 (0.37) GAAPTGS2MAPK14PDK1PDK2

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
US-6340687-B1 ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed