SCHEMBL24933636

SCHEMBL24933636

COc1ccc(Cn2ncc3c2COCC3CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.38
UCHL1 P09936 1/20 0.38
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
CNR2 P34972 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PAX8 Q06710 1/20 0.35
PDE1A P54750 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 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
SCHEMBL24933632 0.83 DRD4 (0.38) NPBWR1SMN1; SMN2MCHR1PDE1BPDE1C
SCHEMBL30240868 0.79 NPBWR1 (0.42) NPBWR1SMN1; SMN2MCHR1PDE1BPDE1C
SCHEMBL24933635 0.71 NPBWR1 (0.44) NPBWR1SMN1; SMN2MCHR1UCHL1SIGMAR1
SCHEMBL24933626 0.71 NPBWR1 (0.50) NPBWR1SMN1; SMN2MCHR1UCHL1PDE1B
SCHEMBL29203463 0.71 NPBWR1 (0.39) NPBWR1SMN1; SMN2MCHR1PDE1BPDE1C
SCHEMBL25521015 0.70 NPBWR1 (0.43) NPBWR1MCHR1UCHL1CNR2ALDH1A1
SCHEMBL29967137 0.68 NPBWR1 (0.43) NPBWR1SMN1; SMN2MCHR1SIGMAR1ALDH1A1
SCHEMBL25521029 0.68 NPBWR1 (0.43) NPBWR1MCHR1UCHL1PDE1BPDE1C
SCHEMBL24588024 0.68 LMNA (0.42) NPBWR1MCHR1UCHL1CNR2
SCHEMBL31549279 0.65 PTGER4 (0.44) SMN1; SMN2UCHL1ALDH1A1PKM

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 4 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 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