SCHEMBL2495837

SCHEMBL2495837

CCC(NS(=O)(=O)C1CC1)(Oc1ccc2c(cnn2-c2cccnc2)c1)c1ccnc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.39
CYP11B2 P19099 3/20 0.38
PGR P06401 2/20 0.38
CYP11B1 P15538 2/20 0.38
SMO Q99835 3/20 0.37
MAPK1 P28482 2/20 0.34
SCN2B O60939 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN9A Q15858 1/20 0.34
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32

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
SCHEMBL445887 0.91 NR3C1 (0.39) NR3C1CYP11B2PGRCYP11B1SMO
SCHEMBL442111 0.88 PDE10A (0.41) NR3C1CYP11B2PGRCYP11B1
SCHEMBL442589 0.82 PDE10A (0.41) NR3C1CYP11B2PGRCYP11B1
SCHEMBL442732 0.79 PDE10A (0.41) NR3C1CYP11B2PGRCYP11B1SMO
SCHEMBL411373 0.76 NR3C1 (0.64) NR3C1PGR
SCHEMBL411372 0.71 NR3C1 (0.62) NR3C1PGR
SCHEMBL411954 0.66 NR3C1 (0.50) NR3C1PGR
SCHEMBL413192 0.65 NR3C1 (0.45) NR3C1CYP11B2PGRCYP11B1SMO
SCHEMBL6281960 0.65 CYP11B2 (0.59) NR3C1CYP11B2CYP11B1SMOMAPK1
SCHEMBL442110 0.64 NR3C1 (0.60) NR3C1PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US claimed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed