SCHEMBL24933783

SCHEMBL24933783

CC1(CO)COC[C@@H](COc2ccc(Br)cc2)O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL24933305 1.00 ALDH1A1 (0.39) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL24933324 0.90 ALDH1A1 (0.38) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL30240804 0.88 MAPT (0.38) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL30240842 0.88 MAPT (0.38) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL24933073 0.87 MAPT (0.37) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL24933057 0.87 MAPT (0.37) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL24933776 0.86 MAPT (0.36) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL29203541 0.86 MAPT (0.36) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL24933782 0.86 MAPT (0.36) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL29203540 0.86 MAPT (0.36) ALDH1A1MAPTLMNAKDM4ETSHR

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