SCHEMBL27997697

SCHEMBL27997697

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CC(C)O)n1-c1ccc(F)cc1C(F)F

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.71
PTGS2 P35354 4/20 0.38
AVPR2 P30518 2/20 0.37
GPR27 Q9NS67 2/20 0.37
ELANE P08246 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2357188 1.00 NR3C2 (0.71) NR3C2PTGS2AVPR2GPR27ELANE
SCHEMBL2357023 0.90 NR3C2 (0.77) NR3C2AVPR2GPR27MAPTGAA
SCHEMBL2358752 0.90 NR3C2 (0.74) NR3C2PTGS2AVPR2GPR27
SCHEMBL2359896 0.89 NR3C2 (0.57) NR3C2ELANEMAPT
SCHEMBL2357968 0.89 NR3C2 (0.57) NR3C2ELANEMAPT
SCHEMBL27997693 0.89 NR3C2 (0.57) NR3C2ELANEMAPT
SCHEMBL2359373 0.89 NR3C2 (0.77) NR3C2PTGS2AVPR2GPR27MAPT
SCHEMBL2359163 0.87 NR3C2 (0.81) NR3C2PTGS2AVPR2GPR27
SCHEMBL27997692 0.87 NR3C2 (0.81) NR3C2PTGS2AVPR2GPR27
SCHEMBL2359060 0.87 NR3C2 (0.83) NR3C2PTGS2AVPR2GPR27ELANE

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
CN-102177137-B 1-phenylpyrrole compounds EXELIXIS INC 2015-03-18 CN disclosed