SCHEMBL16458359

SCHEMBL16458359

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CCOCc2ccccc2)n1-c1ccc(F)cc1OCC(F)F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.64
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PTGER1 P34995 1/20 0.35
GPR6 P46095 1/20 0.35
MET P08581 2/20 0.35
LRRK2 Q5S007 2/20 0.35
AXL P30530 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34
NR3C1 P04150 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
SCHEMBL16458360 0.90 NR3C2 (0.68) NR3C2LMNAALDH1A1HTTPTGER1
SCHEMBL16458357 0.88 NR3C2 (0.61) NR3C2LMNAALDH1A1HTTPTGER1
SCHEMBL16457201 0.87 NR3C2 (0.58) NR3C2LMNAALDH1A1HTTPTGER1
SCHEMBL2356953 0.85 NR3C2 (0.62) NR3C2LMNAALDH1A1HTTTP53
SCHEMBL2359546 0.81 NR3C2 (0.61) NR3C2LMNAALDH1A1HTTTP53
SCHEMBL16457018 0.81 NR3C2 (0.59) NR3C2LMNAALDH1A1HTTPTGER1
SCHEMBL16456919 0.81 NR3C2 (0.59) NR3C2LMNAALDH1A1HTTPTGER1
SCHEMBL27997510 0.79 NR3C2 (0.51) NR3C2LMNAALDH1A1HTTTP53
SCHEMBL2359492 0.79 NR3C2 (0.75) NR3C2LMNAALDH1A1HTTPTGER1
SCHEMBL2357001 0.79 NR3C2 (1.00) NR3C2ALDH1A1GPR6AVPR2GPR27

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