SCHEMBL2641121

SCHEMBL2641121

CC(O)(CN)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.79
PGR P06401 1/20 0.76
CYP3A4 P08684 1/20 0.76

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
SCHEMBL14086875 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL8409323 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL13244698 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL14086873 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL5178725 0.88 AR (0.79) ARPGRCYP3A4
SCHEMBL29504174 0.88 AR (1.00) ARPGRCYP3A4
SCHEMBL14086878 0.88 AR (0.79) ARPGRCYP3A4
SCHEMBL19741507 0.88 AR (1.00) ARPGRCYP3A4
SCHEMBL1124550 0.88 AR (1.00) ARPGRCYP3A4
SCHEMBL13244539 0.87 AR (0.77) ARPGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4806508-B2 2011-11-02 JP claimed
WO-2001058855-A9 USE OF ANDROGEN RECEPTOR SUPPRESSORS BIOPHYSICA INC (US) 2002-10-31 WO claimed
WO-2001058855-A1 USE OF ANDROGEN RECEPTOR SUPPRESSORS BIOPHYSICA, INC (US) 2001-08-16 WO claimed
CN-100402492-C Androgen receptor suppressors in treatment of hirsutism,acne and androgenetic alopecia BIOPHYSICA INC (US) 2008-07-16 CN disclosed
EP-1144366-B1 3,4-DISUBSTITUTED ACYLANILIDE DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR SUPPRESSORS BIOPHYSICA INC (US) 2007-06-27 EP disclosed
EP-1169301-B1 A TOPICAL ANTIANDROGEN FOR HAIR LOSS AND OTHER HYPERANDROGENIC CONDITIONS BIOPHYSICA INC (US) 2004-02-18 EP disclosed
US-6472415-B1 Androgen receptor suppressors in the therapy and diagnosis of prostate cancer, alopecia and other hyper-androgenic syndromes BIOPHYSICA, INC. 2002-10-29 US disclosed
EP-1169301-A1 A TOPICAL ANTIANDROGEN FOR HAIR LOSS AND OTHER HYPERANDROGENIC CONDITIONS BIOPHYSICA, INC. (US) 2002-01-09 EP disclosed
WO-2001058854-A1 A TOPICAL ANTIANDROGEN FOR HAIR LOSS AND OTHER HYPERANDROGENIC CONDITIONS BIOPHYSICA, INC. (US) 2001-08-16 WO disclosed
US-6184249-B1 Androgen receptor suppressors in the therapy and diagnosis of prostate cancer, alopecia and other hyper-androgenic syndromes BIOPHYSICA, INC. 2001-02-06 US disclosed