SCHEMBL4570113

SCHEMBL4570113

Cn1nc(C(F)(F)F)c(CCS(=O)(=O)OC(N)=O)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4553375 0.88 LMNA (0.33) IRAK4SMN1; SMN2ALDH1A1LMNA
SCHEMBL963384 0.87 IRAK4 (0.33) IRAK4ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL4570524 0.84 IRAK4 (0.35) IRAK4MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL963027 0.80 IRAK4 (0.33) IRAK4ALDH1A1CYP2C19CYP2D6CYP3A4
SCHEMBL962936 0.79 IRAK4 (0.35) IRAK4ALDH1A1CYP2C19CYP2C9
SCHEMBL4554378 0.78 IRAK4 (0.34) IRAK4MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL962809 0.74 ADAMTS5 (0.35) IRAK4MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL965265 0.74 ADAMTS5 (0.33) IRAK4MEN1KMT2AALDH1A1LMNA
SCHEMBL965261 0.74 ADAMTS5 (0.33) IRAK4MEN1KMT2AALDH1A1LMNA
SCHEMBL962959 0.74 HPGD (0.32) IRAK4MEN1KMT2ALMNA

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