SCHEMBL327551

SCHEMBL327551

Cn1cnc(S(=O)(=O)N(Cc2ccc(F)c(Cl)c2)c2ccc(C(=O)N3CCCCC3)cc2)c1.O=C(c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
F10 P00742 1/20 0.39
NTRK1 P04629 4/20 0.38
SLC6A9 P48067 2/20 0.37
KCNH2 Q12809 2/20 0.37
IKBKB O14920 1/20 0.37
HSD11B1 P28845 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1722897 0.91 LMNA (0.45) LMNAF10SLC6A9KCNH2HSD11B1
SCHEMBL1725940 0.89 LMNA (0.47) LMNAF10HSD11B1MAPTALDH1A1
SCHEMBL3268298 0.83 HPGD (0.44) LMNANTRK1IKBKBHSD11B1MAPT
SCHEMBL327168 0.82 LMNA (0.48) LMNAF10MAPTALDH1A1MEN1
SCHEMBL1723011 0.81 LMNA (0.51) LMNAF10SLC6A9KCNH2HSD11B1
SCHEMBL3242897 0.78 MAPT (0.54) NTRK1HSD11B1MAPTALDH1A1MEN1
SCHEMBL3237674 0.75 HPGD (0.59) IKBKBHSD11B1MAPTALDH1A1MEN1
SCHEMBL321271 0.74 LMNA (0.45) LMNANTRK1MAPTALDH1A1MEN1
SCHEMBL3268296 0.74 CA12 (0.47) LMNASLC6A9IKBKBHSD11B1MAPT
SCHEMBL18487091 0.73 LMNA (0.45) LMNAALDH1A1MEN1HPGDKMT2A

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