SCHEMBL24933185

SCHEMBL24933185

NC(=O)c1cc(-c2cccc(CO)c2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
PI4K2A Q9BTU6 1/20 0.44
HSD17B1 P14061 5/20 0.44
HSD17B2 P37059 5/20 0.44
PLA2G2A P14555 4/20 0.38
PLA2G10 O15496 3/20 0.38
ACMSD Q8TDX5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.37
CHEK1 O14757 2/20 0.36
PLA2G1B P04054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MAPK8 P45983 1/20 0.35
SCN9A Q15858 1/20 0.35
WEE1 P30291 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
SCHEMBL24933771 0.88 IKBKB (0.42) PARP1IKBKBCHUKHSD17B1HSD17B2
SCHEMBL24933191 0.86 MMP3 (0.40) PARP1HSD17B1HSD17B2PLA2G2APLA2G10
SCHEMBL24932950 0.86 HSD17B2 (0.52) PARP1IKBKBCHUKHSD17B1HSD17B2
SCHEMBL24933186 0.84 HSD17B1 (0.44) PARP1HSD17B1HSD17B2SCN9A
SCHEMBL24932959 0.84 HSD17B1 (0.44) PARP1IKBKBHSD17B1HSD17B2SCN9A
SCHEMBL24933754 0.83 HSD17B2 (0.53) HSD17B1HSD17B2
SCHEMBL30896148 0.83 HSD17B2 (0.53) HSD17B1HSD17B2
SCHEMBL24933348 0.80 CDC7 (0.47) PARP1IKBKBCHUKHSD17B1HSD17B2
SCHEMBL24933605 0.80 HSD17B2 (0.41) PARP1HSD17B1HSD17B2
SCHEMBL24933312 0.80 BTK (0.42) IKBKBCHUKHSD17B1HSD17B2L3MBTL1

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