SCHEMBL302499

SCHEMBL302499

CCNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cn(C)cn2)c1.COCCNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cn(C)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.41
KMT2A Q03164 5/20 0.38
DRD4 P21917 1/20 0.38
MEN1 O00255 3/20 0.38
OXTR P30559 1/20 0.37
SCN9A Q15858 2/20 0.37
MAPT P10636 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
RIPK2 O43353 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SLC6A9 P48067 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
SCHEMBL3378801 0.97 PIK3CG (0.43) PIK3CGKMT2ADRD4MEN1OXTR
SCHEMBL3378381 0.94 MEN1 (0.42) KMT2AMEN1OXTRMAPTLMNA
SCHEMBL304106 0.85 MEN1 (0.43) KMT2AMEN1OXTRSCN9AMAPT
SCHEMBL303353 0.84 LMNA (0.43) KMT2AMEN1OXTRMAPTPSEN1
SCHEMBL302166 0.83 MEN1 (0.44) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL303882 0.83 KMT2A (0.40) KMT2ADRD4MEN1MAPTALDH1A1
SCHEMBL2211492 0.82 MEN1 (0.53) KMT2AMEN1ALDH1A1LMNA
SCHEMBL3376966 0.82 ACKR3 (0.38) KMT2AMEN1SCN9APSEN1PSEN2
SCHEMBL303898 0.82 MEN1 (0.49) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL303633 0.82 MEN1 (0.47) KMT2AMEN1PSEN1PSEN2APH1B

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 5 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
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed