SCHEMBL24933672

SCHEMBL24933672

NC(=O)c1cc(-c2ccc(OCC3COC[C@H](C4CCCC4)O3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.34
PARP15 Q460N3 5/20 0.33
HSD17B1 P14061 5/20 0.33
HSD17B2 P37059 5/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
PARP1 P09874 1/20 0.32
FFAR4 Q5NUL3 3/20 0.31
FFAR1 O14842 1/20 0.31
XDH P47989 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL24933038 1.00 PARP10 (0.34) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL31108203 0.97 HSD17B1 (0.33) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL30240823 0.97 HSD17B1 (0.33) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL24933262 0.97 HSD17B1 (0.33) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL24933264 0.97 HSD17B1 (0.33) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL24933891 0.97 HSD17B1 (0.33) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL24933263 0.97 HSD17B1 (0.33) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL24933313 0.88 PRKAB2 (0.35) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL24933455 0.87 HSD17B1 (0.35) PARP10PARP15HSD17B1HSD17B2PRKAB2
SCHEMBL24933187 0.86 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed