SCHEMBL24933807

SCHEMBL24933807

NC(=O)c1cc(-c2ccc(OCc3cc(Cl)cnc3F)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
MAOB P27338 1/20 0.34
FFAR4 Q5NUL3 3/20 0.33
FFAR1 O14842 2/20 0.33
SCN9A Q15858 2/20 0.33
DHODH Q02127 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NTRK1 P04629 1/20 0.33
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
HDAC3 O15379 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL30240750 1.00 ALOX5AP (0.36) ALOX5APMAOBFFAR4FFAR1SCN9A
SCHEMBL24933521 0.85 MAOB (0.40) ALOX5APMAOBFFAR4FFAR1DHODH
SCHEMBL30240735 0.85 MAOB (0.40) ALOX5APMAOBFFAR4FFAR1DHODH
SCHEMBL30240777 0.85 PDE10A (0.39) ALOX5APSCN9ADHODHCNR1CNR2
SCHEMBL24933803 0.85 PDE10A (0.39) ALOX5APSCN9ADHODHCNR1CNR2
SCHEMBL24933819 0.84 PRKAB2 (0.40) MAOBCNR1HSD17B1HSD17B2PRKAB2
SCHEMBL30240770 0.84 PRKAB2 (0.40) MAOBCNR1HSD17B1HSD17B2PRKAB2
SCHEMBL30240661 0.83 PARP10 (0.40) MAOBFFAR4FFAR1GYS1
SCHEMBL24933501 0.83 PARP10 (0.40) MAOBFFAR4FFAR1GYS1
SCHEMBL24933386 0.83 CDC7 (0.38) MAOBDHODHHSD17B1HSD17B2GYS1

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