SCHEMBL29504174

SCHEMBL29504174

C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 1.00
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
SCHEMBL19741507 1.00 AR (1.00) ARPGRCYP3A4
SCHEMBL1124550 1.00 AR (1.00) ARPGRCYP3A4
SCHEMBL14086875 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL13244698 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL8409323 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL14086873 0.89 AR (0.80) ARPGRCYP3A4
SCHEMBL14086878 0.88 AR (0.79) ARPGRCYP3A4
SCHEMBL5178725 0.88 AR (0.79) ARPGRCYP3A4
SCHEMBL2641121 0.88 AR (0.79) ARPGRCYP3A4
SCHEMBL14086876 0.88 AR (0.83) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751099-A Amide compound and application thereof 中国药科大学 2024-03-22 CN disclosed
CN-115701991-A Pyrazolylpropionamide compounds and their use for treating prostate cancer 田纳西大学研究基金会 2023-02-14 CN disclosed
WO-2023011596-A1 AMIDE COMPOUND AND USE THEREOF 中国药科大学 2023-02-09 WO disclosed
EP-4125846-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER University of Tennessee Research Foundation (US) 2023-02-08 EP disclosed
EP-4110327-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF University of Tennessee Research Foundation (US) 2023-01-04 EP disclosed
EP-3976577-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF University of Tennessee Research Foundation (US) 2022-04-06 EP disclosed