SCHEMBL8519769

SCHEMBL8519769

CC(C)(O)C(=O)Nc1ccc(C#N)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ABCC9 O60706 3/20 0.50
ABCC8 Q09428 3/20 0.50
KCNJ11 Q14654 3/20 0.50
KCNJ8 Q15842 3/20 0.50
AR P10275 5/20 0.48
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL2481947 0.86 AR (0.61) AR
SCHEMBL7515733 0.85 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL2222574 0.84 AR (0.65) AR
SCHEMBL10984365 0.84 AR (0.54) AR
SCHEMBL8519617 0.83 ALDH1A1 (0.57) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8519256 0.82 AR (0.63) ABCC9ABCC8KCNJ11KCNJ8AR
SCHEMBL8518923 0.81 ALDH1A1 (0.55) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL17227570 0.80 AR (0.49) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8351343 0.80 ALDH1A1 (0.79) ALDH1A1
SCHEMBL14087515 0.78 ALDH1A1 (0.55) ALDH1A1AR

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
EP-0002309-B1 ACYLANILIDES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL AND VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP claimed
US-4239776-A Anti-androgenic amides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-16 US claimed
EP-0002309-A2 Acylanilides, process for their manufacture and pharmaceutical and veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP claimed
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