SCHEMBL327188

SCHEMBL327188

CCC(CC)(CO)NC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1.CCC(CO)NC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.38
DYRK2 Q92630 6/20 0.38
DYRK1B Q9Y463 6/20 0.38
DYRK3 O43781 5/20 0.38
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
BACE1 P56817 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2213848 0.93 DYRK1A (0.42) DYRK1ADYRK2DYRK1BDYRK3LMNA
SCHEMBL2212260 0.83 LMNA (0.40) LMNAHTTDGAT2MEN1KMT2A
SCHEMBL3377133 0.83 MEN1 (0.39) LMNADGAT2MEN1KMT2ACNR2
SCHEMBL303432 0.82 LMNA (0.42) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL303301 0.80 MEN1 (0.41) LMNAHTTMEN1KMT2ACNR2
SCHEMBL2211916 0.80 MEN1 (0.42) LMNAMEN1KMT2ACNR2ALDH1A1
SCHEMBL304312 0.79 KMT2A (0.40) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL2214180 0.77 MEN1 (0.54) LMNAMEN1KMT2ACNR2ALDH1A1
SCHEMBL2214837 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1BACE1
SCHEMBL303882 0.76 KMT2A (0.40) LMNAHTTMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500836-A 2012-01-12 JP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP claimed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed