SCHEMBL8780774

SCHEMBL8780774

Cn1c(CCO)cc(=O)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GPR84 Q9NQS5 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PLA2G7 Q13093 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL8780809 0.89 GPR84 (0.46) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL8780770 0.81 ALDH1A1 (0.36) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL8780948 0.79 SLC22A2 (0.39) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL8780873 0.78 PLA2G7 (0.37) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL8780959 0.78 SLC22A2 (0.40) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL8780985 0.77 GPR84 (0.42) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL8780970 0.77 GPR84 (0.42) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL8780883 0.77 GPR84 (0.42) KMT2AALDH1A1MEN1GPR84RXFP1
SCHEMBL23710639 0.77 MAPK1 (0.48) KMT2AALDH1A1MEN1RXFP1MAPK1
SCHEMBL8780905 0.77 GPR84 (0.40) KMT2AALDH1A1MEN1GPR84RXFP1

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