SCHEMBL8780765

SCHEMBL8780765

CCCN(CCOc1ccc([N+](=O)[O-])cc1)CCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.55
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.47
SLC22A2 O15244 1/20 0.43
ADRB1 P08588 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC47A2 Q86VL8 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8780890 0.94 PKM (0.52) KCNH2PKMSMN1; SMN2ALDH1A1SLC22A2
SCHEMBL8780805 0.93 KCNH2 (0.65) KCNH2PKMSMN1; SMN2ALDH1A1SLC22A2
SCHEMBL8780862 0.87 KCNH2 (0.59) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780872 0.86 KCNH2 (0.63) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780815 0.85 ADORA2A (0.38) KCNH2PKMALDH1A1HPGD
SCHEMBL8780751 0.83 PKM (0.51) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780851 0.83 KCNH2 (0.55) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8781005 0.82 KCNH2 (0.57) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780927 0.82 KCNH2 (0.58) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780861 0.81 KCNH2 (0.61) KCNH2PKMSMN1; SMN2SLC22A2ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed