SCHEMBL13005236

SCHEMBL13005236

CN1CCSC1C(=O)NC(CCO)c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.37
PTGFR P43088 1/20 0.35
HSD11B1 P28845 1/20 0.33
KCNK3 O14649 1/20 0.33
ROCK2 O75116 9/20 0.32
ROCK1 Q13464 9/20 0.32
BRD4 O60885 1/20 0.32
ABL1 P00519 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 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
SCHEMBL3382787 0.87 CFD (0.40) CFDPTGFRHSD11B1KCNK3
SCHEMBL13005180 0.83 GPR119 (0.38) CFDPTGFRLMNA
SCHEMBL13005135 0.78 PTGFR (0.58) PTGFRHSD11B1ALDH1A1
SCHEMBL7047521 0.78 PTGFR (0.58) PTGFRHSD11B1ALDH1A1
SCHEMBL3383792 0.78 PTGFR (0.58) PTGFRHSD11B1ALDH1A1
SCHEMBL7045396 0.71 PRKACA (0.40) CFDPTGFRROCK2ROCK1
SCHEMBL3383580 0.71 PRKACA (0.40) CFDPTGFRROCK2ROCK1
SCHEMBL3386255 0.71 PTGFR (0.46) CFDPTGFRKCNK3
SCHEMBL28252012 0.71 PTGFR (0.44) PTGFRKCNK3
SCHEMBL3383891 0.69 JAK2 (0.38) CFDPTGFRKCNK3

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
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP disclosed