SCHEMBL16457201

SCHEMBL16457201

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CCOCc2ccccc2)n1-c1ccc(F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.58
GRM5 P41594 1/20 0.40
GPR27 Q9NS67 4/20 0.39
AVPR2 P30518 3/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR3C1 P04150 1/20 0.38
PTGER1 P34995 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
MIF P14174 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL16456919 0.92 NR3C2 (0.59) NR3C2GRM5GPR27AVPR2LMNA
SCHEMBL2356953 0.89 NR3C2 (0.62) NR3C2GPR27AVPR2LMNAMAPT
SCHEMBL16458357 0.88 NR3C2 (0.61) NR3C2GPR27AVPR2LMNAALDH1A1
SCHEMBL16457018 0.87 NR3C2 (0.59) NR3C2GPR27AVPR2LMNAMAPT
SCHEMBL16458360 0.87 NR3C2 (0.68) NR3C2GPR27AVPR2LMNAMAPT
SCHEMBL16458359 0.87 NR3C2 (0.64) NR3C2GPR27AVPR2LMNAMAPT
SCHEMBL16456865 0.86 NR3C2 (0.59) NR3C2GRM5GPR27AVPR2LMNA
SCHEMBL2359867 0.86 NR3C2 (0.73) NR3C2GPR27AVPR2LMNAMAPT
SCHEMBL2359492 0.85 NR3C2 (0.75) NR3C2GPR27AVPR2LMNAMAPT
SCHEMBL2359184 0.85 NR3C2 (0.71) NR3C2GPR27AVPR2LMNAMAPT

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