SCHEMBL24933375

SCHEMBL24933375

COc1cc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
MAOB P27338 2/20 0.37
MMP12 P39900 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PARP15 Q460N3 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL24933646 0.87 MAOB (0.44) HSD17B1HSD17B2MAOBCDK5CDK5R1
SCHEMBL24933637 0.87 MAOB (0.44) MAOBALDH1A1MAPTBLMGPR55
SCHEMBL30240807 0.85 MAOB (0.46) MAOBMMP12ALDH1A1PARP15PARP10
SCHEMBL24933199 0.85 MAOB (0.46) MAOBMMP12ALDH1A1PARP15PARP10
SCHEMBL30240672 0.84 KDM4E (0.38) HSD17B1HSD17B2ALDH1A1MAPTBLM
SCHEMBL24932971 0.84 KDM4E (0.38) HSD17B1HSD17B2ALDH1A1MAPTBLM
SCHEMBL24933211 0.84 MAOB (0.37) HSD17B1HSD17B2MAOBADAMTS4MMP13
SCHEMBL24933188 0.84 PARP10 (0.39) HSD17B1HSD17B2ALDH1A1MAPTBLM
SCHEMBL30240758 0.84 PARP10 (0.39) HSD17B1HSD17B2ALDH1A1MAPTBLM
SCHEMBL24932968 0.84 GRM2 (0.40) GRM2HSD17B1HSD17B2MAOBALDH1A1

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