SCHEMBL24933593

SCHEMBL24933593

NC(=O)c1cc(-c2ccc(OCC3CCCCO3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
ACACB O00763 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
PARP10 Q53GL7 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL24933581 0.97 PRKAB2 (0.43) RAB9ANPC1SMN1; SMN2HPGDPRKAB2
SCHEMBL24933840 0.95 PRKAB2 (0.46) RAB9ANPC1SMN1; SMN2HPGDPRKAB2
SCHEMBL24933488 0.88 IRAK4 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30240888 0.88 GPR84 (0.42) HPGDPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933551 0.88 GPR84 (0.42) HPGDPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933379 0.87 IRAK4 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24933633 0.87 PARP10 (0.53) HPGDPARP10
SCHEMBL24933241 0.86 PRKAB2 (0.41) RAB9ANPC1SMN1; SMN2PRKAB2PRKAG1
SCHEMBL30240749 0.86 PARP1 (0.41) HPGDPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933356 0.85 PARP10 (0.52) HPGDPARP10

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