SCHEMBL6233025

SCHEMBL6233025

Nc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cccc(Br)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
MAPK14 Q16539 8/20 0.41
MAPK13 O15264 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
POLA1 P09884 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
TYMS P04818 1/20 0.38
NPY5R Q15761 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
APP P05067 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SNCA P37840 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) MAPTGAAMAPK14POLA1KMT2A
SCHEMBL6235371 0.87 MAPT (0.42) MAPTGAAPOLA1KMT2AMEN1
SCHEMBL6233510 0.87 MAPK14 (0.41) MAPTGAAMAPK14MAPK13MAPK12
SCHEMBL6235222 0.87 GAA (0.47) MAPTGAAPOLA1KMT2AMEN1
SCHEMBL6231640 0.87 SLC2A1 (0.48) MAPTGAAMAPK14MAPK13MAPK12
SCHEMBL6231003 0.86 GAA (0.48) MAPTGAAPOLA1KMT2AMEN1
SCHEMBL6232210 0.84 MAPT (0.45) MAPTGAAMAPK14MAPK13MAPK12
SCHEMBL6233775 0.83 SLC2A1 (0.50) MAPTGAAMAPK14MAPK13MAPK12
SCHEMBL6235684 0.80 TP53 (0.43) MAPTGAAMAPK14MAPK13MAPK12
SCHEMBL6086853 0.80 GAA (0.50) MAPTGAAPOLA1KMT2AMEN1

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