SCHEMBL24933228

SCHEMBL24933228

NC(=O)c1cc(-c2ccc(OCc3cnc(OC4CCOC4)nc3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ACACB O00763 1/20 0.36
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
XDH P47989 2/20 0.34
HSD17B1 P14061 4/20 0.34
HSD17B2 P37059 4/20 0.34
HDAC3 O15379 2/20 0.34
PARP1 P09874 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34

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
SCHEMBL24933795 0.90 MKNK1 (0.35) HSD17B1HSD17B2HDAC3PARP1HDAC4
SCHEMBL24933678 0.88 XDH (0.44) XDHHDAC3PARP1HDAC4HDAC1
SCHEMBL24933729 0.85 ACACB (0.36) ACACBXDHHSD17B1HSD17B2JAK2
SCHEMBL24932974 0.85 PRKAB2 (0.38) XDHHSD17B1HSD17B2HDAC3PARP1
SCHEMBL24933814 0.84 PRKAB2 (0.38) HSD17B1HSD17B2HDAC3PARP1HDAC4
SCHEMBL24933810 0.83 FFAR4 (0.40) HSD17B1HSD17B2HDAC3PARP1HDAC4
SCHEMBL24933213 0.82 MAOB (0.36) XDHHSD17B1HSD17B2HDAC3PARP1
SCHEMBL24933221 0.82 CYP11B2 (0.38) CYP11B1CYP11B2XDHHSD17B1HSD17B2
SCHEMBL30240717 0.82 CYP11B2 (0.38) CYP11B1CYP11B2XDHHSD17B1HSD17B2
SCHEMBL24933234 0.82 HSD17B1 (0.35) HSD17B1HSD17B2HDAC3PARP1HDAC4

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