SCHEMBL24933416

SCHEMBL24933416

CSCCOc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.36
HSD17B2 P37059 5/20 0.36
MOGAT2 Q3SYC2 3/20 0.36
PARP1 P09874 2/20 0.35
BRD4 O60885 1/20 0.35
BRD1 O95696 1/20 0.35
BRD2 P25440 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PDK2 Q15119 1/20 0.35
ADRB2 P07550 1/20 0.34
CHEK2 O96017 2/20 0.34
CHEK1 O14757 2/20 0.34
SCN9A Q15858 1/20 0.34
CNR1 P21554 1/20 0.33
FFAR1 O14842 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
SCHEMBL24933256 0.89 PDK2 (0.43) HSD17B1HSD17B2MOGAT2PARP1BRD4
SCHEMBL24933847 0.87 CHEK1 (0.46) HSD17B1HSD17B2MOGAT2PARP1BRD4
SCHEMBL24933418 0.84 MOGAT2 (0.41) HSD17B1HSD17B2MOGAT2PARP1BRD4
SCHEMBL24932951 0.84 CHEK1 (0.48) MOGAT2PARP1PDK2CHEK2CHEK1
SCHEMBL24932956 0.84 FYN (0.45) HSD17B1HSD17B2PARP1BRD4BRD1
SCHEMBL24933007 0.83 PPARD (0.44) HSD17B1HSD17B2FFAR4
SCHEMBL24933053 0.82 KDM4E (0.44) HSD17B1HSD17B2PARP1CHEK1
SCHEMBL24933352 0.82 MAOB (0.42) HSD17B1HSD17B2PARP1FFAR4FFAR1
SCHEMBL24932990 0.82 HSD17B1 (0.36) HSD17B1HSD17B2MOGAT2FFAR4PDK2
SCHEMBL24933349 0.80 GSTP1 (0.50) HSD17B1HSD17B2CHEK2CNR1FFAR1

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