SCHEMBL24933253

SCHEMBL24933253

C/C(N)=C(\COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1)SN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 9/20 0.37
HSD17B1 P14061 8/20 0.37
SCN9A Q15858 2/20 0.34
MAPT P10636 2/20 0.34
BLM P54132 2/20 0.34
GPR55 Q9Y2T6 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SRD5A2 P31213 1/20 0.33
MOGAT2 Q3SYC2 2/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL24933007 0.84 PPARD (0.44) HSD17B2HSD17B1PTGDR2SRD5A2PRKAB2
SCHEMBL24933256 0.82 PDK2 (0.43) HSD17B2HSD17B1MOGAT2PRKAB2PRKAG1
SCHEMBL24932956 0.81 FYN (0.45) HSD17B2HSD17B1SCN9AMAPTBLM
SCHEMBL24933416 0.81 HSD17B1 (0.36) HSD17B2HSD17B1SCN9AMOGAT2
SCHEMBL24933847 0.81 CHEK1 (0.46) HSD17B2HSD17B1SCN9AMOGAT2PRKAB2
SCHEMBL24933357 0.80 TSHR (0.43) MAPTBLMGPR55ALDH1A1
SCHEMBL24933053 0.80 KDM4E (0.44) HSD17B2HSD17B1MAPTPTGDR2ALDH1A1
SCHEMBL24933212 0.78 HSD17B1 (0.34) HSD17B2HSD17B1SCN9AMAPTBLM
SCHEMBL24933418 0.78 MOGAT2 (0.41) HSD17B2HSD17B1SCN9AALDH1A1MOGAT2
SCHEMBL29203411 0.78 SCN9A (0.36) HSD17B2HSD17B1SCN9ASRD5A2PRKAB2

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