SCHEMBL8780872

SCHEMBL8780872

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.63
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SLC22A2 O15244 1/20 0.41
ADRB1 P08588 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
LTA4H P09960 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8780927 0.94 KCNH2 (0.58) KCNH2PKMSMN1; SMN2CHRNB2CHRNA4
SCHEMBL8780805 0.87 KCNH2 (0.65) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780751 0.86 PKM (0.51) KCNH2PKMSMN1; SMN2LMNAHPGD
SCHEMBL8780765 0.86 KCNH2 (0.55) KCNH2PKMSMN1; SMN2LMNAHPGD
SCHEMBL8780867 0.84 KCNH2 (0.43) KCNH2PKMSMN1; SMN2SIGMAR1HRH3
SCHEMBL8780862 0.83 KCNH2 (0.59) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780890 0.82 PKM (0.52) KCNH2PKMSMN1; SMN2LMNAHPGD
SCHEMBL8780907 0.82 PKM (0.52) KCNH2PKMSMN1; SMN2LMNAHPGD
SCHEMBL8780851 0.82 KCNH2 (0.55) KCNH2PKMSMN1; SMN2LMNAHPGD
SCHEMBL8781016 0.81 KCNH2 (0.56) KCNH2PKMSMN1; SMN2SIGMAR1SLC22A2

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