SCHEMBL24933188

SCHEMBL24933188

COc1cc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
MAPK10 P53779 6/20 0.36
GYS1 P13807 1/20 0.36
MAPK8 P45983 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
NNMT P40261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PTGES O14684 1/20 0.34
GAA P10253 2/20 0.34
DHODH Q02127 1/20 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
SCHEMBL30240758 1.00 PARP10 (0.39) PARP10PARP15PARP14MAPK10GYS1
SCHEMBL24933386 0.85 CDC7 (0.38) PARP10PARP15PARP14GYS1HSD17B1
SCHEMBL24933375 0.84 GRM2 (0.41) PARP10PARP15HSD17B1HSD17B2ALDH1A1
SCHEMBL24933501 0.83 PARP10 (0.40) PARP10PARP15PARP14GYS1MAPK8
SCHEMBL30240661 0.83 PARP10 (0.40) PARP10PARP15PARP14GYS1MAPK8
SCHEMBL30240731 0.82 PARP10 (0.41) PARP10PARP15PARP14GYS1HSD17B1
SCHEMBL24933028 0.82 PARP10 (0.41) PARP10PARP15PARP14GYS1HSD17B1
SCHEMBL30240673 0.81 PARP10 (0.39) PARP10PARP15PARP14GYS1FFAR4
SCHEMBL24933799 0.81 PARP10 (0.39) PARP10PARP15PARP14GYS1FFAR4
SCHEMBL24933637 0.81 MAOB (0.44) PARP10ALDH1A1MAPTBLMGPR55

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