SCHEMBL302862

SCHEMBL302862

CC1CCCN1C(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SLC6A9 P48067 1/20 0.38
CCR1 P32246 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
SCHEMBL1723221 0.87 GRM5 (0.49) GRM5HPGDGAAALDH1A1POLB
SCHEMBL327168 0.85 LMNA (0.48) HPGDGAAALDH1A1HRH3LMNA
SCHEMBL303461 0.85 LMNA (0.43) GRM5HPGDGAAALDH1A1POLB
SCHEMBL1722509 0.82 PROKR1 (0.47) HPGDALDH1A1LMNAKMT2A
SCHEMBL3281840 0.82 KMT2A (0.51) HPGDALDH1A1MEN1KMT2ACNR1
SCHEMBL1722907 0.81 LMNA (0.44) HPGDGAAALDH1A1POLBLMNA
SCHEMBL305968 0.79 LMNA (0.42) HPGDGAAALDH1A1LMNAMEN1
SCHEMBL303609 0.79 TP53 (0.46) HPGDALDH1A1POLBCA12CA1
SCHEMBL327423 0.78 POLB (0.46) GRM5HPGDGAAALDH1A1POLB
SCHEMBL1710991 0.78 LMNA (0.47) HPGDGAAALDH1A1CA12CA1

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-2012500834-A 2012-01-12 JP claimed
EP-2344456-A1 NOVEL POTASSIUM CHANNEL BLOCKER Xention Limited (GB) 2011-07-20 EP claimed
EP-2344456-A1 NOVEL POTASSIUM CHANNEL BLOCKER Xention Limited (GB) 2011-07-20 EP disclosed