SCHEMBL24933887

SCHEMBL24933887

NC(=O)c1cc(-c2ccc(OCC3COC4(CC4)CO3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
HSD17B1 P14061 6/20 0.35
HSD17B2 P37059 6/20 0.35
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
FFAR4 Q5NUL3 3/20 0.32
FFAR1 O14842 2/20 0.32
SCN9A Q15858 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL24933271 0.90 AOC2 (0.38) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933449 0.87 FFAR1 (0.34) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL30240749 0.87 PARP1 (0.41) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933022 0.86 PARP1 (0.41) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL30240888 0.85 GPR84 (0.42) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933551 0.85 GPR84 (0.42) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933840 0.85 PRKAB2 (0.46) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933512 0.84 FFAR1 (0.36) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933655 0.84 PARP1 (0.40) PARP1HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933453 0.84 PARP1 (0.40) PARP1HSD17B1HSD17B2PRKAB2PRKAG1

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