SCHEMBL24933248

SCHEMBL24933248

NC(=O)c1cc(-c2ccc(OCC3(F)COC3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.35
HSD17B2 P37059 6/20 0.35
DGAT1 O75907 4/20 0.35
CACNA1H O95180 4/20 0.34
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
PDK2 Q15119 1/20 0.32
SCN9A Q15858 3/20 0.31
SCN1A P35498 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL24933838 0.89 IRAK4 (0.38) HSD17B1HSD17B2CACNA1H
SCHEMBL24933247 0.88 PTGES (0.39) HSD17B1HSD17B2DGAT1
SCHEMBL24933407 0.87 HSD17B1 (0.33) HSD17B1HSD17B2DGAT1
SCHEMBL24933664 0.86 HSD17B1 (0.35) HSD17B1HSD17B2DGAT1CACNA1H
SCHEMBL24933839 0.85 HSD17B1 (0.33) HSD17B1HSD17B2DGAT1
SCHEMBL24932990 0.83 HSD17B1 (0.36) HSD17B1HSD17B2DGAT1PDK2SCN9A
SCHEMBL29203335 0.82 HSD17B1 (0.33) HSD17B1HSD17B2
SCHEMBL24933256 0.82 PDK2 (0.43) HSD17B1HSD17B2PDK2SCN5A
SCHEMBL24933515 0.80 HSD17B1 (0.37) HSD17B1HSD17B2
SCHEMBL24933007 0.80 PPARD (0.44) HSD17B1HSD17B2

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