SCHEMBL303991

SCHEMBL303991

CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)NC(C)C)c2)cc1.O=C(Nc1ccc2cn[nH]c2c1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.54
LMNA P02545 5/20 0.54
HTT P42858 2/20 0.52
GAA P10253 2/20 0.52
NR3C1 P04150 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.43
PARP1 P09874 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL2213597 0.89 MAPT (0.58) MAPTLMNAHTTGAAKMT2A
SCHEMBL2189508 0.86 HTT (0.70) MAPTLMNAHTTGAANR3C1
SCHEMBL3378810 0.83 NPC1 (0.60) MAPTLMNA
SCHEMBL302225 0.79 LMNA (0.60) MAPTLMNAHTTGAAKMT2A
SCHEMBL3377228 0.76 MAPT (0.74) MAPTLMNAHTTGAAKMT2A
SCHEMBL3376926 0.75 MAPT (0.60) MAPTLMNAHTTGAANR3C1
SCHEMBL303030 0.75 GRM2 (0.54) MAPTLMNAHTTGAAKMT2A
SCHEMBL2185822 0.73 RAB9A (0.59) MAPTLMNAHTTGAAKMT2A
SCHEMBL301695 0.73 GAA (0.76) MAPTLMNAHTTGAANR3C1
SCHEMBL3379839 0.73 LMNA (0.56) MAPTLMNAKMT2AKDM4EMEN1

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