SCHEMBL5140930

SCHEMBL5140930

CC(N)COc1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.59
CYP17A1 P05093 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CCR1 P32246 8/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4113075 1.00 NR3C1 (0.59) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL4114045 0.80 NR3C1 (0.54) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL5137509 0.79 NR3C1 (0.58) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL4114024 0.79 NR3C1 (0.58) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL4123716 0.79 CYP17A1 (0.55) NR3C1CYP17A1CYP1A2CCR1ALDH1A1
SCHEMBL441201 0.77 NR3C1 (0.46) NR3C1CYP17A1CYP1A2PGR
SCHEMBL4119522 0.75 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2C9
SCHEMBL303982 0.74 CYP17A1 (0.56) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL27871112 0.73 CYP17A1 (0.50) NR3C1CYP17A1CYP1A2CCR1HPGD
SCHEMBL4106113 0.73 NR3C1 (0.74) NR3C1PGRCYP3A4CYP2C9CCR1

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
EP-1940800-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007046747-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-04-26 WO disclosed