SCHEMBL4554170

SCHEMBL4554170

CCN(C(=O)O)S(=O)(=O)NCC(OC(C)C)c1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 14/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPY5R Q15761 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL966982 0.78 PHGDH (0.34) PHGDHMEN1KMT2ANPY5R
SCHEMBL965948 0.76 LMNA (0.34) PHGDHKMT2A
SCHEMBL966800 0.76 USP2 (0.36) PHGDHKMT2A
SCHEMBL967888 0.75 MAPK8 (0.34) PHGDHMEN1KMT2AMAPK8MAPK9
SCHEMBL966868 0.72 SLC6A2 (0.35) PHGDHMAPK8MAPK9MAPK10
SCHEMBL967867 0.71 PHGDH (0.35) PHGDHMEN1KMT2AMAPK8
SCHEMBL964534 0.70 ALDH1A1 (0.37) KMT2A
SCHEMBL4555123 0.70 MAPK8 (0.33) PHGDHMEN1KMT2ANPY5RMAPK8
SCHEMBL962091 0.70 PHGDH (0.34) PHGDHMEN1KMT2AMAPK8
SCHEMBL963807 0.70 MEN1 (0.36) PHGDHMEN1KMT2AMAPK8MAPK9

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