SCHEMBL24933271

SCHEMBL24933271

CC1(C)COC(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 3/20 0.38
MAOB P27338 2/20 0.38
HSD17B1 P14061 7/20 0.37
HSD17B2 P37059 7/20 0.37
PARP1 P09874 1/20 0.37
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 2/20 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
SCN9A Q15858 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL24933887 0.90 PARP1 (0.37) HSD17B1HSD17B2PARP1FFAR4FFAR1
SCHEMBL30240749 0.87 PARP1 (0.41) HSD17B1HSD17B2PARP1FFAR4FFAR1
SCHEMBL24933650 0.86 PARP1 (0.40) MAOBHSD17B1HSD17B2PARP1FFAR4
SCHEMBL24933453 0.86 PARP1 (0.40) MAOBHSD17B1HSD17B2PARP1FFAR4
SCHEMBL24933655 0.86 PARP1 (0.40) MAOBHSD17B1HSD17B2PARP1FFAR4
SCHEMBL24933022 0.86 PARP1 (0.41) HSD17B1HSD17B2PARP1FFAR4FFAR1
SCHEMBL24933652 0.85 FFAR4 (0.36) HSD17B1HSD17B2PARP1FFAR4FFAR1
SCHEMBL29203333 0.85 FFAR4 (0.36) HSD17B1HSD17B2PARP1FFAR4FFAR1
SCHEMBL24933551 0.85 GPR84 (0.42) HSD17B1HSD17B2PARP1PRKAB2PRKAG1
SCHEMBL30240888 0.85 GPR84 (0.42) HSD17B1HSD17B2PARP1PRKAB2PRKAG1

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