SCHEMBL1669073

SCHEMBL1669073

C[S+]([O-])N1CCN(c2cc(F)c(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL12198370 0.85 ALDH1A1 (0.51) PPARDPPARAKDM4EALDH1A1CASP1
SCHEMBL1668235 0.83 KDM4E (0.53) PPARDPPARAKDM4EALDH1A1KDM4C
SCHEMBL1670840 0.80 TEAD1 (0.38) KDM4EALDH1A1KCNH2GPR119
SCHEMBL1668614 0.77 PRKAA2 (0.39) PPARDPPARAKDM4EALDH1A1CASP1
SCHEMBL12198383 0.75 KDM4E (0.49) PPARDPPARAKDM4EALDH1A1CASP1
SCHEMBL12198375 0.74 KDM4E (0.43) PPARDPPARAKDM4EALDH1A1CASP1
SCHEMBL1668529 0.74 KDM4E (0.51) PPARDPPARAKDM4EALDH1A1KDM4C
SCHEMBL1668670 0.72 HTR2C (0.35) KDM4EALDH1A1
SCHEMBL1668310 0.72 KDM4E (0.46) PPARDPPARAKDM4EALDH1A1NR1H2
SCHEMBL1668306 0.70 KMT2A (0.43) SLC6A4SLC6A2

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-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO disclosed