SCHEMBL27997481

SCHEMBL27997481

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CC(C)O)n1-c1ccc(CN)cc1OC(F)F

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.68
USP28 Q96RU2 4/20 0.37
RORC P51449 4/20 0.35
PLG P00747 4/20 0.35
KLK1 P06870 4/20 0.35
KLK6 Q92876 4/20 0.35
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34
KLKB1 P03952 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
SCHEMBL27997480 1.00 NR3C2 (0.68) NR3C2USP28RORCPLGKLK1
SCHEMBL2359055 0.90 NR3C2 (0.70) NR3C2AVPR2GPR27
SCHEMBL27997692 0.90 NR3C2 (0.81) NR3C2AVPR2GPR27
SCHEMBL2359163 0.90 NR3C2 (0.81) NR3C2AVPR2GPR27
SCHEMBL2358978 0.89 NR3C2 (0.74) NR3C2RORCAVPR2GPR27
SCHEMBL2357844 0.84 NR3C2 (0.83) NR3C2AVPR2GPR27
SCHEMBL2359033 0.84 NR3C2 (0.83) NR3C2AVPR2GPR27
SCHEMBL27997478 0.84 NR3C2 (0.83) NR3C2AVPR2GPR27
SCHEMBL2359096 0.83 NR3C2 (0.69) NR3C2RORCAVPR2GPR27
SCHEMBL2357001 0.81 NR3C2 (1.00) NR3C2AVPR2GPR27

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