SCHEMBL16458046

SCHEMBL16458046

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)c(F)c2)cc(C[C@H](C)OCc2ccccc2)n1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.52
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ELANE P08246 1/20 0.34
TRPV4 Q9HBA0 5/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
MAPT P10636 2/20 0.33
PPARG P37231 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
CRACR2A Q9BSW2 1/20 0.33
TP53 P04637 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL16456970 0.94 NR3C2 (0.52) NR3C2SLC1A3SLC1A2SLC1A1ELANE
SCHEMBL16457142 0.93 NR3C2 (0.54) NR3C2SLC1A3SLC1A2SLC1A1TRPV4
SCHEMBL16456984 0.91 NR3C2 (0.65) NR3C2SLC1A3SLC1A2SLC1A1ELANE
SCHEMBL16457080 0.89 NR3C2 (0.46) NR3C2ELANEMAPTTP53LRRK2
SCHEMBL16457052 0.88 NR3C2 (0.49) NR3C2SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL16456938 0.88 NR3C2 (0.58) NR3C2MAPTTP53LRRK2
SCHEMBL16457022 0.87 NR3C2 (0.62) NR3C2SLC1A3SLC1A2SLC1A1TRPV4
SCHEMBL2548279 0.87 NR3C2 (0.67) NR3C2ELANETRPV4CRACR2A
SCHEMBL2359769 0.86 NR3C2 (0.46) NR3C2MAPTTP53LRRK2
SCHEMBL2547086 0.84 NR3C2 (0.48) NR3C2MAPT

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-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed