SCHEMBL6238034

SCHEMBL6238034

Clc1ccc(Nc2cc(Nc3ccccc3Cl)nc3c(Br)cccc23)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.40
IGF1R P08069 2/20 0.40
NPY5R Q15761 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
POLA1 P09884 1/20 0.38
SLC2A1 P11166 1/20 0.37
FADS1 O60427 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 3/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 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
SCHEMBL6231640 0.90 SLC2A1 (0.48) GAAMAPTKMT2ANPY5RMAPK14
SCHEMBL6233025 0.90 MAPT (0.42) GAAMAPTKMT2ANPY5RMAPK14
SCHEMBL6235371 0.90 MAPT (0.42) GAAMAPTKMT2ANPY5RMAPK10
SCHEMBL6235222 0.90 GAA (0.47) GAAMAPTKMT2ANPY5RPOLA1
SCHEMBL6231003 0.89 GAA (0.48) GAAMAPTKMT2ANPY5RPOLA1
SCHEMBL6232210 0.87 MAPT (0.45) GAAMAPTKMT2AMAPK8MAPK10
SCHEMBL6086853 0.83 GAA (0.50) GAAMAPTKMT2ANPY5RPOLA1
SCHEMBL6089980 0.81 GAA (0.54) GAAMAPTKMT2ANPY5RPOLA1
SCHEMBL6235697 0.80 NPY5R (0.39) MAPTKMT2ANPY5RMAPK10POLA1
SCHEMBL6231257 0.76 MEN1 (0.42) GAAMAPTKMT2ANPY5RPOLA1

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