SCHEMBL16456985

SCHEMBL16456985

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)OCc2ccccc2)n1-c1ccc(F)cc1OC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.58
AVPR2 P30518 2/20 0.37
GPR27 Q9NS67 2/20 0.37
RORC P51449 6/20 0.37
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
PTGS2 P35354 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
SCHEMBL16456984 0.90 NR3C2 (0.65) NR3C2AVPR2GPR27LMNATP53
SCHEMBL16456946 0.90 NR3C2 (0.56) NR3C2AVPR2GPR27RORCLMNA
SCHEMBL16456865 0.88 NR3C2 (0.59) NR3C2AVPR2GPR27LMNATP53
SCHEMBL2357097 0.87 NR3C2 (0.67) NR3C2AVPR2GPR27RORCKCNK3
SCHEMBL16457039 0.85 NR3C2 (0.62) NR3C2AVPR2GPR27LMNATP53
SCHEMBL16456888 0.84 NR3C2 (0.61) NR3C2AVPR2GPR27LMNATP53
SCHEMBL2359256 0.83 NR3C2 (0.75) NR3C2AVPR2GPR27LMNATP53
SCHEMBL16456961 0.83 NR3C2 (0.60) NR3C2AVPR2GPR27LMNATP53
SCHEMBL16458357 0.83 NR3C2 (0.61) NR3C2AVPR2GPR27LMNAPTGS2
SCHEMBL16456941 0.82 NR3C2 (0.60) NR3C2AVPR2GPR27LMNATP53

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