SCHEMBL24933221

SCHEMBL24933221

NC(=O)c1cc(-c2ccc(OCc3cncc(C4CCOC4)c3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.38
CYP11B1 P15538 9/20 0.38
XDH P47989 1/20 0.35
PRMT5 O14744 2/20 0.35
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
MAPK1 P28482 3/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL30240717 1.00 CYP11B2 (0.38) CYP11B2CYP11B1XDHPRMT5HSD17B1
SCHEMBL30240676 0.91 PRMT5 (0.40) CYP11B2CYP11B1PRMT5HSD17B1HSD17B2
SCHEMBL24933268 0.91 PRMT5 (0.40) CYP11B2CYP11B1PRMT5HSD17B1HSD17B2
SCHEMBL24933228 0.82 CYP11B1 (0.37) CYP11B2CYP11B1XDHHSD17B1HSD17B2
SCHEMBL30240736 0.81 MKNK1 (0.44) CYP11B2PRMT5
SCHEMBL24933267 0.81 HSD17B1 (0.40) HSD17B1HSD17B2
SCHEMBL24933394 0.81 PARP15 (0.39) CYP11B2HSD17B1HSD17B2MAPK1
SCHEMBL24933819 0.81 PRKAB2 (0.40) HSD17B1HSD17B2
SCHEMBL24933589 0.81 XDH (0.49) XDHHSD17B1HSD17B2
SCHEMBL24933810 0.81 FFAR4 (0.40) PRMT5HSD17B1HSD17B2FFAR4

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