SCHEMBL24933690

SCHEMBL24933690

NC(=O)c1cc(-c2ccc(OCc3nccs3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.44
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
SCN9A Q15858 3/20 0.37
ACACB O00763 1/20 0.36
FFAR1 O14842 1/20 0.35
SCD O00767 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
DHODH Q02127 1/20 0.33
MAPK8 P45983 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
SCHEMBL24933683 0.85 PDK2 (0.41) CDK5CDK5R1HSD17B1HSD17B2FFAR1
SCHEMBL24933222 0.85 PRKAB2 (0.44) CDK5CDK5R1HSD17B1HSD17B2KDM4C
SCHEMBL24933646 0.84 MAOB (0.44) CDK5CDK5R1HSD17B1HSD17B2FFAR1
SCHEMBL24933849 0.83 HSD17B1 (0.39) CDK5CDK5R1HSD17B1HSD17B2FFAR1
SCHEMBL24933507 0.83 PARP15 (0.53) CDK5CDK5R1HSD17B1HSD17B2ACACB
SCHEMBL24933620 0.82 PARP10 (0.51) DHODH
SCHEMBL24932953 0.82 PARP15 (0.43) CDK5CDK5R1HSD17B1HSD17B2MMP9
SCHEMBL30240779 0.82 PARP10 (0.51) DHODH
SCHEMBL24933809 0.82 HSD17B1 (0.38) CDK5CDK5R1HSD17B1HSD17B2SCN9A
SCHEMBL24933256 0.82 PDK2 (0.43) HSD17B1HSD17B2FFAR1DHODH

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