SCHEMBL24933508

SCHEMBL24933508

NC(=O)c1cc(-c2ccc(OCc3ccc(C(F)(F)F)nc3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
GRM2 Q14416 1/20 0.41
MAOB P27338 3/20 0.39
HDAC3 O15379 1/20 0.38
PARP1 P09874 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
DAO P14920 3/20 0.37
PTGES O14684 8/20 0.37
MCHR1 Q99705 2/20 0.36
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL24933804 0.90 MAOB (0.39) GRM2MAOBHDAC3PARP1HDAC4
SCHEMBL30240820 0.90 MAOB (0.39) GRM2MAOBHDAC3PARP1HDAC4
SCHEMBL24933815 0.90 NPC1 (0.43) GRM2MAOBHDAC3PARP1HDAC4
SCHEMBL30240772 0.90 NPC1 (0.43) GRM2MAOBHDAC3PARP1HDAC4
SCHEMBL24933385 0.88 PARP1 (0.39) MAOBHDAC3PARP1HDAC4HDAC1
SCHEMBL24933211 0.86 MAOB (0.37) MAOBHDAC3PARP1HDAC4HDAC1
SCHEMBL24933463 0.86 HSD17B1 (0.41) MAOBHDAC3PARP1HDAC4HDAC1
SCHEMBL24933671 0.86 MAOB (0.56) MRGPRX4MAOB
SCHEMBL24933190 0.86 PRKAB2 (0.48) MAOB
SCHEMBL24933646 0.85 MAOB (0.44) MAOBHDAC3PARP1HDAC4HDAC1

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