SCHEMBL4554438

SCHEMBL4554438

CCCOC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2ccc(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
MCL1 Q07820 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 4/20 0.33
TP53 P04637 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
SCHEMBL4553762 0.95 AGTR2 (0.37) MCL1PPARGAGTR2
SCHEMBL4554740 0.89 AGTR2 (0.37) MCL1PPARGPLA2G4AAGTR2
SCHEMBL4554505 0.88 NPY5R (0.34) MCL1HTTSMN1; SMN2GALR3CYP1A2
SCHEMBL5115435 0.88 KMO (0.38) MAPK8MAPK9MAPK10MCL1HTT
SCHEMBL4555122 0.87 MAPK8 (0.37) MAPK8MAPK9MAPK10MCL1HTT
SCHEMBL966058 0.86 TP53 (0.38) MAPK8MCL1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL963019 0.84 TP53 (0.37) MAPK8MCL1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL4554828 0.83 AGTR2 (0.38) MCL1HTTSMN1; SMN2GALR3CYP1A2
SCHEMBL4553444 0.82 SMN1; SMN2 (0.44) MCL1HTTSMN1; SMN2GALR3CYP1A2
SCHEMBL4553883 0.82 SMN1; SMN2 (0.33) MAPK8MAPK9MAPK10MCL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed