SCHEMBL30240751

SCHEMBL30240751

Cc1ccncc1COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.41
HSD17B2 P37059 7/20 0.41
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GRM2 Q14416 1/20 0.37
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
MAOB P27338 1/20 0.34
CDC7 O00311 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
SCN9A Q15858 1/20 0.34
GYS1 P13807 1/20 0.34
DGAT1 O75907 1/20 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
SCHEMBL24933735 1.00 HSD17B1 (0.41) HSD17B1HSD17B2CDK5CDK5R1HDAC1
SCHEMBL24933028 0.89 PARP10 (0.41) HSD17B1HSD17B2CDK5CDK5R1CDC7
SCHEMBL30240731 0.89 PARP10 (0.41) HSD17B1HSD17B2CDK5CDK5R1CDC7
SCHEMBL30240778 0.89 MKNK1 (0.43) HSD17B1HSD17B2CDK5CDK5R1MKNK1
SCHEMBL24933882 0.89 MKNK1 (0.43) HSD17B1HSD17B2CDK5CDK5R1MKNK1
SCHEMBL24933386 0.88 CDC7 (0.38) HSD17B1HSD17B2CDK5CDK5R1MAOB
SCHEMBL30240675 0.87 HSD17B1 (0.41) HSD17B1HSD17B2CDK5CDK5R1GRM2
SCHEMBL24933406 0.87 HSD17B1 (0.41) HSD17B1HSD17B2CDK5CDK5R1GRM2
SCHEMBL24933856 0.87 MKNK1 (0.39) HSD17B1HSD17B2CDK5CDK5R1CDC7
SCHEMBL24933607 0.86 HSD17B2 (0.39) HSD17B1HSD17B2CDK5CDK5R1SCN9A

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 6 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