SCHEMBL6231640

SCHEMBL6231640

Cc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cccc(Br)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.45
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPY5R Q15761 1/20 0.37
PTK6 Q13882 1/20 0.36
RAD52 P43351 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL6238034 0.90 GAA (0.45) SLC2A1MAPTGAATP53MAPK14
SCHEMBL6233025 0.87 MAPT (0.42) SLC2A1MAPTGAATP53MAPK13
SCHEMBL6235222 0.87 GAA (0.47) SLC2A1MAPTGAATP53MEN1
SCHEMBL6235371 0.87 MAPT (0.42) SLC2A1MAPTGAATP53MEN1
SCHEMBL6231003 0.86 GAA (0.48) SLC2A1MAPTGAATP53MEN1
SCHEMBL6232210 0.86 MAPT (0.45) MAPTGAATP53MAPK13MAPK12
SCHEMBL6233063 0.83 SLC2A1 (0.71) SLC2A1MAPTGAATP53MAPK13
SCHEMBL6236745 0.80 SLC2A1 (0.54) SLC2A1MAPTGAATP53MAPK13
SCHEMBL6086853 0.80 GAA (0.50) SLC2A1MAPTGAATP53MEN1
SCHEMBL6089980 0.78 GAA (0.54) SLC2A1MAPTGAATP53MEN1

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
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed