SCHEMBL24933838

SCHEMBL24933838

CC1(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)COC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
PTGES O14684 1/20 0.37
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 3/20 0.36
ACACB O00763 1/20 0.36
FLT3 P36888 7/20 0.35
CACNA1H O95180 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
PTGS2 P35354 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL24933664 0.96 HSD17B1 (0.35) IRAK4PTGESHSD17B1HSD17B2ACACB
SCHEMBL24933248 0.89 HSD17B1 (0.35) HSD17B1HSD17B2CACNA1H
SCHEMBL24933247 0.89 PTGES (0.39) PTGESHSD17B1HSD17B2
SCHEMBL24932990 0.85 HSD17B1 (0.36) HSD17B1HSD17B2
SCHEMBL24933839 0.84 HSD17B1 (0.33) PTGESHSD17B1HSD17B2
SCHEMBL24933407 0.84 HSD17B1 (0.33) HSD17B1HSD17B2
SCHEMBL29203328 0.82 HSD17B1 (0.34) HSD17B1HSD17B2
SCHEMBL24932989 0.82 MOGAT2 (0.37) HSD17B1HSD17B2PTGS2
SCHEMBL24933256 0.81 PDK2 (0.43) HSD17B1HSD17B2FFAR1
SCHEMBL24933251 0.81 HSD17B1 (0.34) 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