SCHEMBL303280

SCHEMBL303280

CN(C)C(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2F)c1.O=C(c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2F)c1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
KCNA5 P22460 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3377105 0.94 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL2189008 0.89 LMNA (0.49) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL3378326 0.87 KCNA5 (0.52) ALDH1A1LMNAKMT2AKCNA5TP53
SCHEMBL3377152 0.82 LMNA (0.60) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL302059 0.82 LMNA (0.52) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL302652 0.79 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL2213840 0.78 TSHR (0.53) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL2188004 0.77 ALDH1A1 (0.65) ALDH1A1LMNAKMT2AKCNA5SMN1; SMN2
SCHEMBL3374237 0.76 HPGD (0.52) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL3379849 0.74 MAPT (0.59) ALDH1A1LMNAKMT2ATSHRTP53

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