SCHEMBL5262079

SCHEMBL5262079

COc1ccc2c(c1)c(CC#N)cn2CC(I)(NS(=O)(=O)c1c(C)cc(C)cc1C)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.39
PGR P06401 3/20 0.39
NR3C2 P08235 3/20 0.39
ALDH1A1 P00352 1/20 0.36
HTR6 P50406 5/20 0.35
PLA2G2A P14555 1/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADAM17 P78536 2/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.33
AR P10275 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
SCHEMBL4068700 0.81 NR3C1 (0.60) NR3C1PGRNR3C2ADAM17
SCHEMBL4414553 0.70 NR3C2 (0.59) NR3C1PGRNR3C2HTR6
SCHEMBL5262707 0.69 NR3C1 (0.46) NR3C1PGRNR3C2ALDH1A1MAPT
SCHEMBL4448878 0.69 NR3C1 (0.43) NR3C1PGRNR3C2ALDH1A1MEN1
SCHEMBL4406085 0.68 NR3C1 (0.54) NR3C1PGRNR3C2HTR6
SCHEMBL4440691 0.68 ALDH1A1 (0.43) NR3C1PGRNR3C2ALDH1A1MAPT
SCHEMBL19193000 0.66 ADRB2 (0.63) HTR6MEN1KMT2A
SCHEMBL4410351 0.66 MTNR1A (0.55) NR3C1PGRNR3C2ALDH1A1MEN1
SCHEMBL4446665 0.65 NR3C2 (0.46) NR3C1PGRNR3C2MAPTMEN1
SCHEMBL14041509 0.65 HTR6 (0.48) PGRHTR6PLA2G2A

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-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP disclosed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed