SCHEMBL24933369

SCHEMBL24933369

Cc1cc(C)nc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.38
HSD17B2 P37059 6/20 0.38
MOGAT2 Q3SYC2 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DHODH Q02127 4/20 0.36
PARP1 P09874 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PDE10A Q9Y233 3/20 0.35
PARP10 Q53GL7 1/20 0.35
PPARD Q03181 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
SCHEMBL30240787 1.00 HSD17B1 (0.38) HSD17B1HSD17B2MOGAT2HDAC1HDAC6
SCHEMBL24933881 0.89 HSD17B1 (0.38) HSD17B1HSD17B2MOGAT2HDAC1HDAC6
SCHEMBL24933706 0.88 PARP10 (0.39) HSD17B1HSD17B2HDAC1HDAC6DHODH
SCHEMBL24933809 0.88 HSD17B1 (0.38) HSD17B1HSD17B2HDAC1HDAC6PARP1
SCHEMBL24933226 0.83 PPARD (0.40) HSD17B1HSD17B2MOGAT2DHODHCDK5
SCHEMBL30240779 0.82 PARP10 (0.51) DHODHPDE10APARP10
SCHEMBL24933620 0.82 PARP10 (0.51) DHODHPDE10APARP10
SCHEMBL24932971 0.81 KDM4E (0.38) HSD17B1HSD17B2DHODHPARP1
SCHEMBL30240745 0.81 HSD17B1 (0.40) HSD17B1HSD17B2HDAC1HDAC6DHODH
SCHEMBL30240672 0.81 KDM4E (0.38) HSD17B1HSD17B2DHODHPARP1

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