SCHEMBL2187930

SCHEMBL2187930

CC(=O)N1CCc2cc([S+]([O-])N(Cc3ccccc3)c3cccc(C(=O)NC(C)C)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.41
RAB9A P51151 1/20 0.41
TRIM24 O15164 1/20 0.41
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL302970 0.81 LMNA (0.59) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL3237944 0.65 TP53 (0.74) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL10848483 0.65 ALDH1A1 (0.57) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL10849362 0.64 LMNA (0.51) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL21469193 0.64 ALDH1A1 (0.48) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL302225 0.63 LMNA (0.60) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL10850699 0.63 LMNA (0.48) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL4523697 0.62 NOTUM (0.60) MAPTALDH1A1HPGDMAPK1TP53
SCHEMBL5781435 0.62 TRIM24 (0.65) MAPTALDH1A1HPGDMAPK1TP53
SCHEMBL3376926 0.62 MAPT (0.60) LMNAMAPTALDH1A1MEN1KMT2A

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
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed