SCHEMBL8780890

SCHEMBL8780890

CCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 9/20 0.50
SLC22A2 O15244 1/20 0.48
ADRB1 P08588 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC47A2 Q86VL8 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
ALDH1A1 P00352 1/20 0.45
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8780765 0.94 KCNH2 (0.55) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780862 0.93 KCNH2 (0.59) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780851 0.90 KCNH2 (0.55) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780861 0.88 KCNH2 (0.61) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780805 0.87 KCNH2 (0.65) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8781005 0.87 KCNH2 (0.57) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780927 0.87 KCNH2 (0.58) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780776 0.85 MAOA (0.37) PKMKCNH2LMNAKMT2A
SCHEMBL8780907 0.84 PKM (0.52) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780802 0.83 L3MBTL1 (0.44) PKMALDH1A1HRH3

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