SCHEMBL303295

SCHEMBL303295

CC(C)NC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccnn2C)c1.O=C(NCc1ccccc1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CXCR3 P49682 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER1 P34995 1/20 0.43
PKM P14618 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2188016 0.90 KDM4E (0.43) LMNAHTTKDM4EALDH1A1NPC1
SCHEMBL3376222 0.88 MAPT (0.45) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL302225 0.80 LMNA (0.60) LMNAHTTKDM4EALDH1A1MEN1
SCHEMBL3377457 0.78 MAPT (0.40) LMNAKDM4EALDH1A1NPC1MEN1
SCHEMBL2186493 0.78 ALDH1A1 (0.62) LMNAHTTKDM4EALDH1A1HPGD
SCHEMBL3379160 0.78 LMNA (0.49) LMNAHTTNPSR1KDM4EALDH1A1
SCHEMBL302155 0.78 MEN1 (0.47) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL301863 0.78 MEN1 (0.49) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL2185822 0.77 RAB9A (0.59) LMNAHTTKDM4EALDH1A1NPC1
SCHEMBL2188175 0.77 NPC1 (0.38) LMNAHTTKDM4EALDH1A1NPC1

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