SCHEMBL304647

SCHEMBL304647

O=C(c1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1.O=C(c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)cc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
KMT2A Q03164 2/20 0.57
HPGD P15428 1/20 0.57
HTR2C P28335 2/20 0.56
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.56
DRD3 P35462 1/20 0.56
HTR6 P50406 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
PTGES O14684 3/20 0.51
ALOX5 P09917 3/20 0.51
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.49
MCL1 Q07820 1/20 0.49
NR3C1 P04150 1/20 0.48
CETP P11597 1/20 0.47
MEN1 O00255 1/20 0.46
SLC6A7 Q99884 1/20 0.46

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
SCHEMBL1723106 0.93 HTR2C (0.63) LMNAKMT2AHPGDHTR2CHTR1A
SCHEMBL3282269 0.91 LMNA (0.68) LMNAKMT2AHPGDSMN1; SMN2HTT
SCHEMBL302243 0.91 LMNA (0.62) LMNAKMT2AHPGDSMN1; SMN2HTT
SCHEMBL13065013 0.87 CNR2 (0.61) LMNAKMT2AHPGDSMN1; SMN2HTT
SCHEMBL1711156 0.87 LMNA (0.62) LMNAKMT2AHPGDHTR2CHTR1A
SCHEMBL303307 0.87 LMNA (0.71) LMNAKMT2AHPGDSMN1; SMN2HTT
SCHEMBL2813139 0.85 LMNA (0.62) LMNAKMT2AHPGDSMN1; SMN2HTT
SCHEMBL1711351 0.85 LMNA (0.62) LMNAKMT2AHPGDSMN1; SMN2HTT
SCHEMBL302427 0.83 KMT2A (0.68) LMNAKMT2AHPGDSMN1; SMN2HTT
SCHEMBL13065037 0.83 LMNA (0.63) LMNAKMT2AHPGDSMN1; SMN2HTT

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-2012500834-A 2012-01-12 JP claimed
EP-2344456-A1 NOVEL POTASSIUM CHANNEL BLOCKER Xention Limited (GB) 2011-07-20 EP claimed
WO-2010023445-A1 NOVEL POTASSIUM CHANNEL BLOCKER XENTION LIMITED (GB) 2010-03-04 WO claimed