SCHEMBL303609

SCHEMBL303609

Cc1ccc(CN(c2ccc(C(=O)N3CCCC(C)C3)cc2)S(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 5/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CRHBP P24387 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
SCHEMBL327423 0.93 POLB (0.46) TP53CA12CA1CA2CA7
SCHEMBL1723221 0.93 GRM5 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1710991 0.92 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL303461 0.87 LMNA (0.43) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL304469 0.84 LMNA (0.48) CA12CA1CA2CA7CA9
SCHEMBL302109 0.83 LMNA (0.47) KMT2AALDH1A1MEN1SMN1; SMN2HTT
SCHEMBL304021 0.83 PROKR1 (0.49) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL1722401 0.82 KMT2A (0.55) KMT2AMEN1SMN1; SMN2HTTHPGD
SCHEMBL1722509 0.82 PROKR1 (0.47) KMT2AALDH1A1HPGDLMNA
SCHEMBL327168 0.81 LMNA (0.48) KMT2AALDH1A1MEN1MAPTSMN1; SMN2

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 4 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-B1 NOVEL POTASSIUM CHANNEL BLOCKER JAPAN TOBACCO INC (JP) 2018-07-25 EP disclosed
EP-2344456-A1 NOVEL POTASSIUM CHANNEL BLOCKER Xention Limited (GB) 2011-07-20 EP disclosed