SCHEMBL301832

SCHEMBL301832

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C#N)c2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
NR1H2 P55055 4/20 0.41
KAT6A Q92794 1/20 0.40
MAPT P10636 2/20 0.40
PGR P06401 3/20 0.40
NR3C1 P04150 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 2/20 0.38
MCL1 Q07820 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3380436 0.94 NR1H2 (0.45) LMNANR1H2KAT6AMAPTPGR
SCHEMBL3378995 0.92 LMNA (0.51) LMNANR1H2KAT6AMAPTPGR
SCHEMBL302950 0.85 NR3C1 (0.55) LMNAMAPTPGRNR3C1TP53
SCHEMBL3377911 0.83 MAPT (0.54) MAPTNR3C1MEN1KMT2ARORC
SCHEMBL303335 0.80 NR1H2 (0.45) NR1H2KAT6AMEN1KMT2ARORC
SCHEMBL2213543 0.80 ALDH1A1 (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL3380874 0.79 NR3C1 (0.54) MAPTNR3C1MEN1KMT2ATP53
SCHEMBL3376406 0.79 SIRT2 (0.44) NR1H2KAT6ANR3C1MEN1KMT2A
SCHEMBL303674 0.78 SIRT2 (0.44) NR1H2KAT6AMEN1KMT2ARORC
SCHEMBL303336 0.77 NR1H2 (0.45) NR1H2MEN1KMT2ARORC

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