SCHEMBL29203344

SCHEMBL29203344

Cn1ncc2c1COCC2COc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
TSHR P16473 2/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
LSS P48449 1/20 0.31
ESRRG P62508 1/20 0.31

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
SCHEMBL24933627 0.88 KCNH2 (0.31) KCNH2HRH3CYP3A4CYP2D6CYP2C19
SCHEMBL24933632 0.81 DRD4 (0.38) TSHRSMN1; SMN2CYP3A4CYP2D6MAPK1
SCHEMBL29203391 0.74 TSHR (0.33) KDM4ETSHRALDH1A1NPC1
SCHEMBL27038617 0.64 KDM4E (0.46) KDM4ETSHRATML3MBTL1RECQL
SCHEMBL15301046 0.64 TSHR (0.41) KDM4ETSHRTDP1ALDH1A1
SCHEMBL24933321 0.63 SIGMAR1 (0.32) KDM4ETSHRL3MBTL1RECQLTDP1
SCHEMBL29203471 0.63 KDM4E (0.41) KDM4ETSHRATML3MBTL1RECQL
SCHEMBL1513424 0.62 TDP1 (0.66) KDM4ETSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL17592769 0.62 TDP1 (0.66) KDM4ETSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL1513422 0.62 TDP1 (0.66) KDM4ETSHRTDP1ALDH1A1SMN1; SMN2

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