SCHEMBL3965867

SCHEMBL3965867

Cc1c(N(Cc2ccccc2)Cc2ccc(Sc3ccccc3)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
NR3C1 P04150 11/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3960771 0.90 KMT2A (0.53) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3970562 0.85 KMT2A (0.50) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3966943 0.85 KMT2A (0.50) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3969322 0.83 KMT2A (0.48) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3970830 0.79 NR3C1 (0.62) KMT2ANR3C1MEN1ALDH1A1CYP1A2
SCHEMBL3959774 0.79 NR3C1 (0.52) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3971896 0.79 NR3C1 (0.52) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3968196 0.78 NR3C1 (0.63) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3965644 0.77 NR3C1 (0.49) KMT2ANR3C1PGRNR3C2AR
SCHEMBL3966910 0.76 NR3C1 (0.51) KMT2ANR3C1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 WO disclosed