SCHEMBL317792

SCHEMBL317792

O=C(c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)cc1)N1CCCCC1.O=C(c1ccc(NCc2ccc(Cl)cc2)cc1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NAMPT P43490 3/20 0.47
HSD11B1 P28845 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.44
CNR2 P34972 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKLR P30613 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1723232 0.93 LMNA (0.54) LMNAKMT2AMEN1NAMPTHSD11B1
SCHEMBL3230937 0.87 HSD11B1 (0.56) LMNANAMPTHSD11B1ALDH1A1L3MBTL1
SCHEMBL13064496 0.82 LMNA (0.58) LMNAKMT2AMEN1HPGDALDH1A1
SCHEMBL13064487 0.81 LMNA (0.69) LMNAKMT2AMEN1HSD11B1HPGD
SCHEMBL303319 0.81 LMNA (0.48) LMNAKMT2AMEN1HPGDALDH1A1
SCHEMBL3259882 0.77 ALDH1A1 (0.70) LMNAKMT2AMEN1NAMPTHSD11B1
SCHEMBL3230929 0.77 HSD11B1 (0.56) LMNAKMT2ANAMPTHSD11B1ALDH1A1
SCHEMBL13064393 0.75 LMNA (0.60) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL3456953 0.74 LMNA (0.79) LMNAKMT2AHPGDALDH1A1MAPT
SCHEMBL303420 0.74 LMNA (0.72) LMNAKMT2AHPGDALDH1A1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500834-A 2012-01-12 JP claimed
EP-2344456-A1 NOVEL POTASSIUM CHANNEL BLOCKER Xention Limited (GB) 2011-07-20 EP claimed