SCHEMBL304444

SCHEMBL304444

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2cn(C)cn2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NR3C1 P04150 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MCL1 Q07820 5/20 0.41
MAPK14 Q16539 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PTGES O14684 1/20 0.39
BCL2L1 Q07817 1/20 0.38
NR1I2 O75469 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL18487096 0.97 MEN1 (0.46) MAPTNR3C1KMT2AMEN1MCL1
SCHEMBL3381042 0.94 MEN1 (0.48) MAPTKMT2AMEN1MCL1LMNA
SCHEMBL3380874 0.88 NR3C1 (0.54) MAPTNR3C1KMT2AMEN1KEAP1
SCHEMBL3377911 0.85 MAPT (0.54) MAPTNR3C1KMT2AMEN1MCL1
SCHEMBL312209 0.81 AVPR2 (0.41) MAPTKMT2AMEN1MCL1PTGES
SCHEMBL303671 0.80 MAPT (0.43) MAPTKMT2AMEN1MCL1PTGES
SCHEMBL302950 0.79 NR3C1 (0.55) MAPTNR3C1KEAP1NFE2L2MCL1
SCHEMBL303293 0.79 GAA (0.63) MAPTNR3C1KMT2AMEN1LMNA
SCHEMBL301986 0.79 NAMPT (0.51) MAPTKEAP1NFE2L2MCL1NR1I2
SCHEMBL1722971 0.77 MEN1 (0.51) KMT2AMEN1PTGESALDH1A1LMNA

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