SCHEMBL305908

SCHEMBL305908

N#Cc1cccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)c(C(=O)N3CCC(O)C3)c2)c1.N#Cc1cccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)c(C(=O)N3CCCC(O)C3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.42
KCNH2 Q12809 1/20 0.42
KDM1A O60341 2/20 0.40
RORC P51449 2/20 0.40
MCHR1 Q99705 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1H2 P55055 1/20 0.39
RHOA P61586 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL305907 1.00 KCNA5 (0.42) KCNA5KCNH2KDM1ARORCMCHR1
SCHEMBL3380043 0.98 KCNA5 (0.43) KCNA5KCNH2KDM1ARORCMCHR1
SCHEMBL3379291 0.97 KCNA5 (0.45) KCNA5KCNH2KDM1ARORCMCHR1
SCHEMBL3379283 0.97 KCNA5 (0.45) KCNA5KCNH2KDM1ARORCMCHR1
SCHEMBL3377427 0.91 KCNA5 (0.45) KCNA5KCNH2KDM1ARORCMEN1
SCHEMBL302683 0.83 KCNA5 (0.39) KCNA5KCNH2RORCMCHR1MEN1
SCHEMBL3377129 0.80 MEN1 (0.55) KCNA5KCNH2RORCMEN1KMT2A
SCHEMBL3379276 0.75 NR1H2 (0.45) KCNA5KCNH2RORCMEN1KMT2A
SCHEMBL302783 0.75 SIRT2 (0.45) KCNA5KCNH2RORCMEN1KMT2A
SCHEMBL3376406 0.75 SIRT2 (0.44) KCNA5KCNH2RORCMEN1KMT2A

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