SCHEMBL30240804

SCHEMBL30240804

C[C@]1(CF)COC[C@@H](COc2ccc(Br)cc2)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
PYGL P06737 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 2/20 0.35
GAA P10253 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
SCHEMBL30240842 1.00 MAPT (0.38) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL24933325 0.91 ALDH1A1 (0.36) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL29203557 0.91 ALDH1A1 (0.36) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL29203558 0.91 ALDH1A1 (0.36) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL24933783 0.88 ALDH1A1 (0.39) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL24933073 0.88 MAPT (0.37) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL24933057 0.88 MAPT (0.37) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL24933305 0.88 ALDH1A1 (0.39) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL24933068 0.88 ALDH1A1 (0.35) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL29203446 0.88 ALDH1A1 (0.35) MAPTTSHRALDH1A1LMNAMEN1

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 3 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