SCHEMBL1378445

SCHEMBL1378445

CC(C)COC(=O)CN(CC(F)(F)F)c1ccc(C#N)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
PGR P06401 2/20 0.44
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
NR1H3 Q13133 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 5/20 0.37
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
BLVRB P30043 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
SCHEMBL1378604 0.90 PGR (0.43) ARPGRGAAMAPK1NR1H3
SCHEMBL3289772 0.84 MAPT (0.46) ARPGRGAASMN1; SMN2KDM4E
SCHEMBL1378444 0.82 AR (0.42) ARPGRGAAKDM4ECYP1A2
SCHEMBL1378773 0.82 XDH (0.36) ARPGRXDHSLC22A12CYP2C19
SCHEMBL1380657 0.80 AR (0.50) ARPGRGAAMAPK1NR1H3
SCHEMBL5987970 0.80 AR (0.50) ARPGR
SCHEMBL1379986 0.80 AR (0.50) ARPGR
SCHEMBL3294164 0.79 AR (0.44) ARPGRGAANR1H3KDM4E
SCHEMBL1378820 0.78 AR (0.43) ARPGRGAAKDM4ECYP1A2
SCHEMBL13326500 0.77 AR (0.46) ARPGRGAAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805909-B2 2011-11-02 JP claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP claimed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP disclosed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed