SCHEMBL24933258

SCHEMBL24933258

NC(=O)c1cc(-c2ccc(OCC3COCCN3C3CC3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
HSD17B2 P37059 11/20 0.36
HSD17B1 P14061 10/20 0.36
XDH P47989 1/20 0.34
TIPARP Q7Z3E1 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
JAK2 O60674 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
ACHE P22303 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL24933257 0.88 P2RX3 (0.39) FPR2SCN9AHSD17B2HSD17B1TIPARP
SCHEMBL24933705 0.88 P2RX3 (0.39) FPR2SCN9AHSD17B2HSD17B1TIPARP
SCHEMBL24933854 0.88 FPR2 (0.37) FPR2SCN9AHSD17B2HSD17B1XDH
SCHEMBL30240709 0.85 HSD17B2 (0.35) FPR2SCN9AHSD17B2HSD17B1PRKAB2
SCHEMBL24933826 0.85 HSD17B2 (0.35) FPR2SCN9AHSD17B2HSD17B1PRKAB2
SCHEMBL24933589 0.84 XDH (0.49) HSD17B2HSD17B1XDHPRKAB2PRKAG1
SCHEMBL24933017 0.83 PRKAB2 (0.42) HSD17B2HSD17B1XDHPRKAB2PRKAG1
SCHEMBL24933550 0.83 HSD17B2 (0.37) HSD17B2HSD17B1PRKAB2PRKAG1PRKAA2
SCHEMBL24933470 0.82 XDH (0.44) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24932946 0.82 XDH (0.42) HSD17B2HSD17B1XDHPRKAB2PRKAG1

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