SCHEMBL8519256

SCHEMBL8519256

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.63
PGR P06401 1/20 0.63
CYP3A4 P08684 1/20 0.63
ABCC9 O60706 2/20 0.45
ABCC8 Q09428 2/20 0.45
KCNJ11 Q14654 2/20 0.45
KCNJ8 Q15842 2/20 0.45

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
SCHEMBL8519769 0.82 ALDH1A1 (0.54) ARABCC9ABCC8KCNJ11KCNJ8
SCHEMBL27630726 0.81 AR (0.69) ARPGRCYP3A4ABCC9ABCC8
SCHEMBL8407245 0.80 AR (0.67) ARPGRCYP3A4ABCC9ABCC8
SCHEMBL8409262 0.80 AR (0.67) ARPGRCYP3A4ABCC9ABCC8
SCHEMBL8407369 0.80 AR (0.71) ARPGRCYP3A4ABCC9ABCC8
SCHEMBL8410359 0.77 AR (0.64) ARPGRCYP3A4
Hydroxyflutamide SCHEMBL29379312 0.77 AR (1.00) ARPGRCYP3A4
Hydroxyflutamide SCHEMBL3079778 0.77 AR (1.00) ARPGRCYP3A4
SCHEMBL9587808 0.77 VCAM1 (0.46) CYP3A4
SCHEMBL14252944 0.77 AR (0.52) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0002309-B1 ACYLANILIDES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL AND VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed
US-4282218-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-08-04 US disclosed
US-4239776-A Anti-androgenic amides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-16 US disclosed
EP-0002309-A2 Acylanilides, process for their manufacture and pharmaceutical and veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP disclosed