SCHEMBL16456946

SCHEMBL16456946

Cc1cc(F)ccc1-n1c(C[C@H](C)OCc2ccccc2)cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.56
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
GPR27 Q9NS67 4/20 0.37
AVPR2 P30518 1/20 0.37
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
RORC P51449 1/20 0.34
RECQL P46063 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
SCHEMBL16456865 0.92 NR3C2 (0.59) NR3C2LMNAMAPTTP53GPR27
SCHEMBL16456984 0.91 NR3C2 (0.65) NR3C2LMNAMAPTTP53GPR27
SCHEMBL2359769 0.91 NR3C2 (0.46) NR3C2MAPTTP53AVPR2ALDH1A1
SCHEMBL16456941 0.91 NR3C2 (0.60) NR3C2LMNAMAPTTP53GPR27
SCHEMBL16456985 0.90 NR3C2 (0.58) NR3C2LMNAMAPTTP53GPR27
SCHEMBL2547086 0.89 NR3C2 (0.48) NR3C2LMNAMAPTAVPR2ALDH1A1
SCHEMBL16457251 0.86 NR3C2 (0.60) NR3C2LMNAMAPTTP53GPR27
SCHEMBL16457039 0.86 NR3C2 (0.62) NR3C2LMNAMAPTTP53GPR27
SCHEMBL2358752 0.85 NR3C2 (0.74) NR3C2GPR27AVPR2PTGS2MAOA
SCHEMBL16456888 0.85 NR3C2 (0.61) NR3C2LMNAMAPTTP53GPR27

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