SCHEMBL8780751

SCHEMBL8780751

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 10/20 0.46
SLC22A2 O15244 1/20 0.39
ADRB1 P08588 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC47A2 Q86VL8 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
LTA4H P09960 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL8780907 0.94 PKM (0.52) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780872 0.86 KCNH2 (0.63) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780824 0.85 TDP1 (0.39) PKMSMN1; SMN2KCNH2HPGDLTA4H
SCHEMBL8780805 0.84 KCNH2 (0.65) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780765 0.83 KCNH2 (0.55) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780927 0.82 KCNH2 (0.58) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8781035 0.82 KCNH2 (0.50) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780862 0.80 KCNH2 (0.59) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780890 0.80 PKM (0.52) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780851 0.79 KCNH2 (0.55) PKMSMN1; SMN2KCNH2SLC22A2ADRB1

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