SCHEMBL16457142

SCHEMBL16457142

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.54
HSD11B1 P28845 2/20 0.37
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 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
SCHEMBL16457052 0.94 NR3C2 (0.49) NR3C2HSD11B1AVPR2OXTRAVPR1A
SCHEMBL16456970 0.93 NR3C2 (0.52) NR3C2AVPR2OXTRAVPR1ASLC1A3
SCHEMBL16458046 0.93 NR3C2 (0.52) NR3C2SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL2547086 0.92 NR3C2 (0.48) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16456984 0.89 NR3C2 (0.65) NR3C2AVPR2SLC1A3SLC1A2SLC1A1
SCHEMBL16457022 0.88 NR3C2 (0.62) NR3C2SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL16457242 0.87 NR3C2 (0.48) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL2550462 0.87 NR3C2 (0.69) NR3C2HSD11B1MAPTLMNATP53
SCHEMBL16457250 0.86 NR3C2 (0.44) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL2359769 0.85 NR3C2 (0.46) NR3C2AVPR2OXTRAVPR1AMAPT

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