SCHEMBL24933470

SCHEMBL24933470

NC(=O)c1cc(-c2ccc(OCC3CCCOC3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.44
PARP10 Q53GL7 7/20 0.41
PARP15 Q460N3 6/20 0.41
PARP2 Q9UGN5 2/20 0.39
SCN8A Q9UQD0 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CHEK2 O96017 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL24933589 0.95 XDH (0.49) XDHPARP10PARP15PARP2SCN8A
SCHEMBL24933017 0.93 PRKAB2 (0.42) XDHPARP10PARP15PARP2SCN8A
SCHEMBL24933356 0.90 PARP10 (0.52) PARP10PARP15PARP2CHEK2
SCHEMBL24932946 0.89 XDH (0.42) XDHPARP10PARP15PARP2SCN8A
SCHEMBL24933633 0.89 PARP10 (0.53) PARP10PARP15PARP2CHEK2
SCHEMBL24933581 0.86 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30240888 0.85 GPR84 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24933551 0.85 GPR84 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24933044 0.84 PRKAB2 (0.37) XDHPARP10PARP15PARP2PRKAB2
SCHEMBL24933840 0.84 PRKAB2 (0.46) PARP10PARP15PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP claimed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN claimed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO claimed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed