SCHEMBL5692155

SCHEMBL5692155

CCCCN(C)c1ccc([N+](=O)[O-])cc1Cl.CCCN(CCC)c1ccc(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
VCAM1 P19320 5/20 0.40
HCAR3 P49019 2/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.34
CYP19A1 P11511 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PGR P06401 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
SCHEMBL5693121 0.92 MAPT (0.46) MAPTVCAM1HCAR3LMNAHTT
SCHEMBL3057818 0.83 VCAM1 (0.47) MAPTVCAM1HCAR3ALDH3A1ALDH1A1
SCHEMBL3060338 0.81 MAPT (0.60) MAPTVCAM1HCAR3LMNAHTT
SCHEMBL3054662 0.81 VCAM1 (0.51) MAPTVCAM1HCAR3LMNAALDH3A1
SCHEMBL3047731 0.77 VCAM1 (0.48) MAPTVCAM1ALDH3A1ALDH1A1CYP19A1
SCHEMBL3053986 0.76 MAPT (0.50) MAPTVCAM1HCAR3ALDH3A1ALDH1A1
SCHEMBL6819352 0.76 MAPT (0.54) MAPTVCAM1HCAR3LMNAHTT
SCHEMBL3051050 0.75 MAPT (0.50) MAPTVCAM1HCAR3ALDH1A1
SCHEMBL5692492 0.75 MAPT (0.42) MAPTVCAM1HCAR3LMNAHTT
SCHEMBL5692148 0.74 VCAM1 (0.36) MAPTVCAM1HCAR3LMNAALDH1A1

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 claimed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO claimed