SCHEMBL24933486

SCHEMBL24933486

NC(=O)c1cc(-c2ccc(CC3CCOCC3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.39
HSD17B1 P14061 9/20 0.38
HSD17B2 P37059 9/20 0.38
CHEK2 O96017 2/20 0.38
PTGES O14684 2/20 0.35
BTK Q06187 1/20 0.35
FLT3 P36888 1/20 0.33
PARP1 P09874 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL24932946 0.85 XDH (0.42) HSD17B1HSD17B2CHEK2PTGESXDH
SCHEMBL24933589 0.82 XDH (0.49) HSD17B1HSD17B2CHEK2PARP1XDH
SCHEMBL24933371 0.82 HSD17B1 (0.44) HSD17B1HSD17B2CHEK2BTK
SCHEMBL29203323 0.82 PARP1 (0.49) PARP1
SCHEMBL24933771 0.81 IKBKB (0.42) HSD17B1HSD17B2PARP1
SCHEMBL24933202 0.81 HSD17B1 (0.35) HSD17B1HSD17B2PARP1
SCHEMBL24933624 0.81 HSD17B1 (0.35) HSD17B1HSD17B2BTKPARP1
SCHEMBL29203414 0.80 HSD17B2 (0.37) HSD17B1HSD17B2CHEK2
SCHEMBL24933183 0.79 PARP1 (0.46) PARP1
SCHEMBL24933484 0.77 HSD17B2 (0.37) HSD17B1HSD17B2PARP1

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