SCHEMBL24933501

SCHEMBL24933501

NC(=O)c1cc(-c2ccc(OCc3cc(F)ccc3F)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
PARP14 Q460N5 2/20 0.40
FFAR4 Q5NUL3 9/20 0.39
FFAR1 O14842 5/20 0.39
MAOB P27338 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CACNA1C Q13936 1/20 0.37
ALKBH1 Q13686 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
MAPK8 P45983 1/20 0.36
GYS1 P13807 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
SCHEMBL30240661 1.00 PARP10 (0.40) PARP10PARP15PARP14FFAR4FFAR1
SCHEMBL24933553 0.85 MAOB (0.46) PARP10PARP15FFAR1MAOBGYS1
SCHEMBL30240692 0.85 MAOB (0.46) PARP10PARP15FFAR1MAOBGYS1
SCHEMBL24933386 0.84 CDC7 (0.38) PARP10PARP15PARP14MAOBCYP1A1
SCHEMBL30240758 0.83 PARP10 (0.39) PARP10PARP15PARP14FFAR4MAPK8
SCHEMBL24933188 0.83 PARP10 (0.39) PARP10PARP15PARP14FFAR4MAPK8
SCHEMBL30240750 0.83 ALOX5AP (0.36) FFAR4FFAR1MAOBGYS1
SCHEMBL24933807 0.83 ALOX5AP (0.36) FFAR4FFAR1MAOBGYS1
SCHEMBL24933521 0.83 MAOB (0.40) PARP10PARP15PARP14FFAR4FFAR1
SCHEMBL30240735 0.83 MAOB (0.40) PARP10PARP15PARP14FFAR4FFAR1

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
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
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