SCHEMBL302013

SCHEMBL302013

CC(C)NC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1.CC(C)NC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP19A1 P11511 3/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PRNP P04156 1/20 0.40
NR3C2 P08235 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL3376941 0.93 POLB (0.49) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL3378020 0.86 MEN1 (0.55) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL3379160 0.86 LMNA (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2214557 0.83 NAMPT (0.36) KMT2AMEN1CYP1A2CYP3A4CYP19A1
SCHEMBL301861 0.79 LMNA (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL303030 0.79 GRM2 (0.54) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL2210474 0.76 MEN1 (0.42) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL301954 0.76 LMNA (0.46) KMT2AMEN1MAPTLMNAHTT
SCHEMBL303525 0.76 KMT2A (0.53) POLBKMT2AMEN1MAPTPRNP
SCHEMBL301862 0.76 LMNA (0.51) POLBKMT2AMEN1ALDH1A1GAA

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