SCHEMBL302689

SCHEMBL302689

CC(C)(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.CNC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.CS(=O)(=O)N(Cc1ccccc1)c1cccc(C(=O)N2CCCC(c3ccccc3)C2)c1.O=C(NCCCc1ccccc1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
FKBP1A P62942 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
PROKR1 Q8TCW9 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3377977 0.80 LMNA (0.52) LMNAHPGDKMT2AALDH1A1MEN1
SCHEMBL3377147 0.80 PROKR1 (0.52) LMNASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL3380454 0.75 ALDH1A1 (0.58) LMNASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL3375719 0.73 LMNA (0.60) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL303313 0.72 LMNA (0.57) LMNAHPGDKMT2AALDH1A1MEN1
SCHEMBL302061 0.71 LMNA (0.54) LMNASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL3380407 0.71 LMNA (0.64) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL302132 0.70 ALDH1A1 (0.65) LMNASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL3379800 0.68 LMNA (0.58) LMNASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3377290 0.68 LMNA (0.57) LMNASMN1; SMN2KMT2AALDH1A1MEN1

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