SCHEMBL303249

SCHEMBL303249

O=C(NCC(O)CO)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 6/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 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
SCHEMBL3379295 0.88 MAPT (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3379886 0.88 LMNA (0.59) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3380826 0.85 LMNA (0.60) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2186493 0.85 ALDH1A1 (0.62) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL303248 0.84 LMNA (0.59) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3376241 0.84 LMNA (0.61) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3379800 0.83 LMNA (0.58) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL302132 0.83 ALDH1A1 (0.65) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3379037 0.82 MAPT (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3377290 0.82 LMNA (0.57) LMNAALDH1A1MAPTMEN1KMT2A

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