SCHEMBL24933800

SCHEMBL24933800

N#Cc1ccc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
MAOB P27338 8/20 0.42
RAB9A P51151 1/20 0.42
BACE1 P56817 1/20 0.41
MAOA P21397 4/20 0.40
HDAC3 O15379 1/20 0.40
PARP1 P09874 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39

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
SCHEMBL24933666 0.90 KCNH2 (0.48) KCNH2FFAR1MAOBMAOAPARP10
SCHEMBL24933671 0.89 MAOB (0.56) FFAR1MAOBMAOASMPD1
SCHEMBL24933637 0.88 MAOB (0.44) FFAR1MAOBRAB9AHDAC3PARP1
SCHEMBL24933801 0.88 CD274 (0.44)
SCHEMBL24933349 0.88 GSTP1 (0.50) FFAR1AKR1B1MAOBPARP10
SCHEMBL24933646 0.86 MAOB (0.44) FFAR1MAOBHDAC3PARP1HDAC4
SCHEMBL24933352 0.85 MAOB (0.42) KCNH2FFAR1MAOBHDAC3PARP1
SCHEMBL24933385 0.85 PARP1 (0.39) MAOBHDAC3PARP1HDAC4HDAC1
SCHEMBL24933553 0.85 MAOB (0.46) FFAR1MAOBMAOAHDAC3PARP1
SCHEMBL30240692 0.85 MAOB (0.46) FFAR1MAOBMAOAHDAC3PARP1

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