SCHEMBL24933803

SCHEMBL24933803

NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cn3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.39
DHODH Q02127 1/20 0.36
ALOX5AP P20292 1/20 0.35
MAP4K4 O95819 2/20 0.35
CNR1 P21554 3/20 0.35
MAPK10 P53779 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CNR2 P34972 1/20 0.34
SCN9A Q15858 1/20 0.34
MCHR1 Q99705 2/20 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
SCHEMBL30240777 1.00 PDE10A (0.39) PDE10ADHODHALOX5APMAP4K4CNR1
SCHEMBL24933808 0.87 PDE10A (0.39) PDE10ADHODHALOX5APCNR1CNR2
SCHEMBL24933841 0.86 HDAC1 (0.36) PDE10ADHODHCNR1HDAC1HDAC6
SCHEMBL24933807 0.85 ALOX5AP (0.36) DHODHALOX5APCNR1HDAC1HDAC6
SCHEMBL30240750 0.85 ALOX5AP (0.36) DHODHALOX5APCNR1HDAC1HDAC6
SCHEMBL30240779 0.85 PARP10 (0.51) PDE10ADHODH
SCHEMBL24933620 0.85 PARP10 (0.51) PDE10ADHODH
SCHEMBL30240770 0.84 PRKAB2 (0.40) CNR1HDAC1HDAC6HDAC5
SCHEMBL24933819 0.84 PRKAB2 (0.40) CNR1HDAC1HDAC6HDAC5
SCHEMBL24933845 0.84 SYK (0.42) PDE10ADHODH

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