SCHEMBL24933463

SCHEMBL24933463

NC(=O)c1cc(-c2ccc(OCc3cncnc3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
MAOB P27338 3/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CACNA1B Q00975 1/20 0.37
HDAC3 O15379 1/20 0.37
PARP1 P09874 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL24933385 0.90 PARP1 (0.39) HSD17B1HSD17B2MAOBHDAC3PARP1
SCHEMBL24933190 0.89 PRKAB2 (0.48) MAOBPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933646 0.89 MAOB (0.44) HSD17B1HSD17B2MAOBHDAC3PARP1
SCHEMBL24933819 0.89 PRKAB2 (0.40) HSD17B1HSD17B2MAOBPRKAB2PRKAG1
SCHEMBL30240745 0.89 HSD17B1 (0.40) HSD17B1HSD17B2MAOBPRKAB2PRKAG1
SCHEMBL30240770 0.89 PRKAB2 (0.40) HSD17B1HSD17B2MAOBPRKAB2PRKAG1
SCHEMBL24933394 0.89 PARP15 (0.39) HSD17B1HSD17B2MAOBPRKAB2PRKAG1
SCHEMBL24933267 0.89 HSD17B1 (0.40) HSD17B1HSD17B2MAOBPRKAB2PRKAG1
SCHEMBL30240728 0.89 PARP15 (0.39) HSD17B1HSD17B2MAOBPRKAB2PRKAG1
SCHEMBL24932968 0.88 GRM2 (0.40) HSD17B1HSD17B2MAOBPARP1HDAC1

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