SCHEMBL24933771

SCHEMBL24933771

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
PARP1 P09874 2/20 0.41
HSD17B1 P14061 6/20 0.40
HSD17B2 P37059 6/20 0.40
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KIF11 P52732 1/20 0.38
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL24933185 0.88 PARP1 (0.46) IKBKBCHUKPARP1HSD17B1HSD17B2
SCHEMBL24933797 0.87 PARP1 (0.44) CHUKPARP1HSD17B1HSD17B2
SCHEMBL24933350 0.87 RXRA (0.37) IKBKBCHUKHSD17B1HSD17B2CDK5
SCHEMBL24933189 0.87 HSD17B1 (0.39) PARP1HSD17B1HSD17B2CDK5CDK5R1
SCHEMBL24933312 0.86 BTK (0.42) IKBKBCHUKHSD17B1HSD17B2CDK5
SCHEMBL24933605 0.86 HSD17B2 (0.41) PARP1HSD17B1HSD17B2KIF11
SCHEMBL24933339 0.85 HSD17B1 (0.41) PARP1HSD17B1HSD17B2CDK5CDK5R1
SCHEMBL24933359 0.85 HSD17B2 (0.50) HSD17B1HSD17B2ALDH1A1
SCHEMBL24932950 0.85 HSD17B2 (0.52) IKBKBCHUKPARP1HSD17B1HSD17B2
SCHEMBL24933343 0.83 HSD17B1 (0.39) PARP1HSD17B1HSD17B2CDK5CDK5R1

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