SCHEMBL2004063

SCHEMBL2004063

COc1cc(-c2cc(Cl)ccc2OC)ccc1CNS(=O)(=O)c1c(C)nn(C)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.52
FPR2 P25090 6/20 0.44
PROKR1 Q8TCW9 6/20 0.44
NR3C1 P04150 3/20 0.42
PGR P06401 3/20 0.42
NR3C2 P08235 1/20 0.40
TP53 P04637 1/20 0.38
CCR2 P41597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MAPT P10636 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
SCHEMBL2008128 0.70 NR3C1 (0.54) ACLYNR3C1PGRMAPT
SCHEMBL7552445 0.70 ACLY (0.35) ACLYFPR2PROKR1CCR2BCL2
SCHEMBL2006413 0.70 ACLY (0.44) ACLYFPR2PROKR1NR3C1PGR
SCHEMBL21930952 0.68 ACLY (1.00) ACLY
SCHEMBL2009285 0.67 NR3C1 (0.52) NR3C1PGRTP53MAPT
SCHEMBL2002844 0.67 ERN1 (0.47) L3MBTL1
SCHEMBL16508903 0.64 HTR6 (0.46) ACLYFPR2PROKR1CCR2L3MBTL1
SCHEMBL24252742 0.63 CYP1A2 (0.51) MAPT
SCHEMBL30451335 0.63 CYP1A2 (0.51) MAPT
SCHEMBL6828482 0.63 ACLY (0.48) ACLYFPR2PROKR1CCR2L3MBTL1

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