SCHEMBL5693128

SCHEMBL5693128

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
VCAM1 P19320 2/20 0.35
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP19A1 P11511 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3040881 0.87 VCAM1 (0.45) MAPTCYP3A4MAPK1VCAM1PGR
SCHEMBL3057864 0.87 VCAM1 (0.36) MAPTCYP3A4MAPK1VCAM1CYP19A1
SCHEMBL3053986 0.85 MAPT (0.50) MAPTCYP3A4MAPK1VCAM1KDM4E
SCHEMBL3055631 0.85 MAPT (0.50) MAPTCYP3A4MAPK1VCAM1KDM4E
SCHEMBL5693116 0.84 AR (0.40) MAPTCYP3A4MAPK1VCAM1PGR
SCHEMBL5693115 0.84 MAPT (0.40) MAPTCYP3A4MAPK1VCAM1PGR
SCHEMBL3045411 0.81 MAPT (0.44) MAPTCYP3A4MAPK1VCAM1CYP19A1
SCHEMBL3057818 0.81 VCAM1 (0.47) MAPTCYP3A4MAPK1VCAM1CYP19A1
SCHEMBL3050952 0.81 MAPT (0.46) MAPTCYP3A4MAPK1VCAM1CYP19A1
SCHEMBL5692532 0.79 PGR (0.43) MAPTCYP3A4MAPK1VCAM1PGR

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