SCHEMBL2009577

SCHEMBL2009577

COc1ncccc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.46
PGR P06401 3/20 0.46
ACLY P53396 2/20 0.42
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.34
PDE10A Q9Y233 1/20 0.33
SCN9A Q15858 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
RORC P51449 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL5236465 0.73 LTA4H (0.42) LMNAMAPTTSHR
SCHEMBL2011438 0.73 LTA4H (0.42) LMNAMAPTTSHR
SCHEMBL2005890 0.71 CA1 (0.40) CA1CA2ACHEMAPTRORC
SCHEMBL2005891 0.71 CA1 (0.40) CA1CA2ACHEMAPTRORC
SCHEMBL2008128 0.69 NR3C1 (0.54) NR3C1PGRACLYCA1CA2
SCHEMBL2002156 0.67 NR3C1 (0.51) NR3C1PGRCA1CA2ACHE
SCHEMBL5236458 0.63 APP (0.43) LMNAMAPT
SCHEMBL6038598 0.63 CCR4 (0.50) ACLYSMN1; SMN2
SCHEMBL12248837 0.61 S1PR1 (0.55) ACLYGAA
SCHEMBL2002855 0.60 ALOX5AP (0.42) NR3C1PGRMAPT

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
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed