SCHEMBL5693113

SCHEMBL5693113

CCCCN(CCC)c1ccc(C#N)c(Cl)c1.CCCN(CCOC)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PGR P06401 6/20 0.38
VCAM1 P19320 5/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CRHR1 P34998 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3051207 0.83 MAPT (0.52) MAPTVCAM1LMNAPOLBMEN1
SCHEMBL3048933 0.82 PGR (0.47) PGRCYP2D6CYP2C9CRHR1
SCHEMBL3058223 0.81 TDP1 (0.40) MAPTVCAM1LMNAALDH1A1CYP3A4
SCHEMBL3058351 0.81 VCAM1 (0.44) MAPTVCAM1LMNAPOLBALDH1A1
SCHEMBL5692484 0.81 VCAM1 (0.38) PGRVCAM1KMT2AALDH1A1CYP3A4
SCHEMBL5692532 0.81 PGR (0.43) MAPTPGRVCAM1MEN1KMT2A
SCHEMBL5692102 0.80 MAPT (0.41) MAPTVCAM1CYP3A4MAPK1SLC16A3
SCHEMBL3060094 0.79 PGR (0.54) PGRSLC16A3SLC16A1
SCHEMBL3057818 0.78 VCAM1 (0.47) MAPTVCAM1POLBALDH1A1CYP3A4
SCHEMBL3045411 0.78 MAPT (0.44) MAPTVCAM1ALDH1A1CYP3A4MAPK1

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-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO disclosed