SCHEMBL24933849

SCHEMBL24933849

Cc1ncsc1COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.39
HSD17B2 P37059 6/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PPARD Q03181 9/20 0.37
PPARA Q07869 6/20 0.37
PPARG P37231 4/20 0.37
FFAR1 O14842 2/20 0.35
MAOB P27338 2/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
HDAC3 O15379 1/20 0.33
PARP1 P09874 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL24933254 0.87 HSD17B1 (0.38) HSD17B1HSD17B2CDK5CDK5R1PPARD
SCHEMBL24933693 0.87 PPARD (0.44) HSD17B1HSD17B2PPARDPPARAPPARG
SCHEMBL24933507 0.83 PARP15 (0.53) HSD17B1HSD17B2CDK5CDK5R1PARP15
SCHEMBL24933690 0.83 BTK (0.44) HSD17B1HSD17B2CDK5CDK5R1FFAR1
SCHEMBL24933809 0.83 HSD17B1 (0.38) HSD17B1HSD17B2CDK5CDK5R1PPARD
SCHEMBL24933706 0.83 PARP10 (0.39) HSD17B1HSD17B2CDK5CDK5R1PPARD
SCHEMBL24933639 0.82 NMT1 (0.40) HSD17B1HSD17B2FFAR1MAOBPARP15
SCHEMBL24933002 0.82 HSD17B1 (0.38) HSD17B1HSD17B2CDK5CDK5R1
SCHEMBL24933683 0.82 PDK2 (0.41) HSD17B1HSD17B2CDK5CDK5R1PPARA
SCHEMBL30240675 0.81 HSD17B1 (0.41) HSD17B1HSD17B2CDK5CDK5R1FFAR1

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