SCHEMBL302890

SCHEMBL302890

Nc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.O=C(Cc1ccccc1)Nc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 8/20 0.51
CACNA1H O95180 1/20 0.51
LMNA P02545 5/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
PTGES O14684 1/20 0.47
ESR1 P03372 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
SCHEMBL3278531 0.94 HTT (0.57) HTTGAAMAPTCACNA1HLMNA
SCHEMBL302889 0.88 LMNA (0.54) HTTGAAMAPTCACNA1HLMNA
SCHEMBL1965535 0.86 MAPT (0.57) HTTGAAMAPTCACNA1HLMNA
SCHEMBL1964511 0.84 MEN1 (0.62) HTTGAALMNAALDH1A1L3MBTL1
SCHEMBL301695 0.81 GAA (0.76) HTTGAAMAPTCACNA1HLMNA
SCHEMBL3279971 0.81 MAPT (0.61) HTTGAAMAPTCACNA1HLMNA
SCHEMBL3454266 0.78 EPHX2 (0.69) HTTGAAMAPTLMNAALDH1A1
SCHEMBL1964073 0.76 GAA (0.55) HTTGAAMAPTCACNA1HLMNA
SCHEMBL3377228 0.76 MAPT (0.74) HTTGAAMAPTLMNAALDH1A1
SCHEMBL3377793 0.75 MAPT (0.64) HTTGAAMAPTLMNAALDH1A1

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-2012500835-A 2012-01-12 JP claimed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP claimed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed