SCHEMBL24933799

SCHEMBL24933799

COc1ncccc1COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.39
PARP15 Q460N3 2/20 0.39
PARP14 Q460N5 1/20 0.39
MAOB P27338 1/20 0.38
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GYS1 P13807 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
CDC7 O00311 1/20 0.36
SCN9A Q15858 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
ABL1 P00519 1/20 0.35
DRD1 P21728 1/20 0.35
GRM2 Q14416 1/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL30240673 1.00 PARP10 (0.39) PARP10PARP15PARP14MAOBHSD17B1
SCHEMBL24933639 0.89 NMT1 (0.40) PARP10PARP15PARP14MAOBHSD17B1
SCHEMBL30240735 0.88 MAOB (0.40) PARP10PARP15PARP14MAOBHSD17B1
SCHEMBL24933521 0.88 MAOB (0.40) PARP10PARP15PARP14MAOBHSD17B1
SCHEMBL24933641 0.87 MAOB (0.39) PARP10PARP15PARP14MAOBHSD17B1
SCHEMBL30240668 0.87 MAOB (0.39) PARP10PARP15PARP14MAOBHSD17B1
SCHEMBL24933222 0.85 PRKAB2 (0.44) PARP10MAOBHSD17B1HSD17B2PARP1
SCHEMBL29203327 0.83 ALK (0.38) HSD17B1HSD17B2GPBAR1CDC7SCN9A
SCHEMBL24933028 0.83 PARP10 (0.41) PARP10PARP15PARP14HSD17B1HSD17B2
SCHEMBL30240731 0.83 PARP10 (0.41) PARP10PARP15PARP14HSD17B1HSD17B2

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