SCHEMBL24933352

SCHEMBL24933352

CSc1ccc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 1/20 0.38
PARP10 Q53GL7 3/20 0.38
HDAC3 O15379 2/20 0.38
PARP1 P09874 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
PTPRZ1 P23471 1/20 0.37
GSTP1 P09211 2/20 0.37
PPARD Q03181 2/20 0.36

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
SCHEMBL24933637 0.89 MAOB (0.44) MAOBFFAR1PARP10HDAC3PARP1
SCHEMBL24933671 0.88 MAOB (0.56) MAOBFFAR1FFAR4PPARGPPARD
SCHEMBL24933349 0.87 GSTP1 (0.50) MAOBFFAR1PARP10GSTP1HSD17B1
SCHEMBL24933351 0.86 MAOB (0.41) MAOBFFAR1PARP10HDAC3PARP1
SCHEMBL24933800 0.85 KCNH2 (0.44) MAOBFFAR1PARP10HDAC3PARP1
SCHEMBL24933646 0.85 MAOB (0.44) MAOBFFAR1PARP10HDAC3PARP1
SCHEMBL24933474 0.85 MAOB (0.45) MAOBPARP10HDAC3PARP1HDAC4
SCHEMBL24933210 0.85 MAOB (0.47) MAOBPARP10HDAC3PARP1HDAC4
SCHEMBL24933553 0.84 MAOB (0.46) MAOBFFAR1PARP10HDAC3PARP1
SCHEMBL30240692 0.84 MAOB (0.46) MAOBFFAR1PARP10HDAC3PARP1

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