SCHEMBL12065293

SCHEMBL12065293

CCOC(c1ccc(S(C)(=O)=O)cc1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PTGS2 P35354 7/20 0.40
PTGS1 P23219 4/20 0.40
SCD O00767 1/20 0.38
TDO2 P48775 1/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK1A1L Q8N752 1/20 0.36
MLKL Q8NB16 1/20 0.36

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
SCHEMBL14774054 0.89 LMNA (0.34) BRD4SMN1; SMN2MLKL
SCHEMBL12065619 0.82 IDO1 (0.38) BRD4MLKL
SCHEMBL14770563 0.82 BRD4 (0.41) BRD4PTGS2PTGS1SCDTDO2
SCHEMBL12065255 0.80 SCN10A (0.40) MLKL
SCHEMBL14763413 0.80 BCHE (0.37) MLKL
SCHEMBL12066566 0.79 PRCP (0.42) SMN1; SMN2MLKL
SCHEMBL14762718 0.79 PDE2A (0.36) MLKL
Oxalic Acid SCHEMBL14762710 0.78 PDE2A (0.38) MLKL
Phosphoric Acid SCHEMBL14763404 0.78 PDE2A (0.38)
SCHEMBL12065252 0.77 CACNA1C (0.42) BRD4ALDH1A1MLKL

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
WO-2011148956-A1 FUSED IMIDAZOLE DERIVATIVE トーアエイヨー株式会社 (JP) 2011-12-01 WO disclosed