SCHEMBL8519767

SCHEMBL8519767

CC(C)(O)C(=O)c1c(N)ccc(C#N)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.38
PGR P06401 1/20 0.38
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
TTK P33981 1/20 0.33
RPS27 P42677 1/20 0.33
MAPK8 P45983 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30
TSHR P16473 2/20 0.30
HSD11B1 P28845 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10975698 0.85 PDK1 (0.43) ARPGRPDK1PDK2PDK3
SCHEMBL10984328 0.84 AR (0.34) ARPGRPDK1PDK2PDK3
SCHEMBL8519615 0.84 KDM4E (0.36) ARPGRCCNA2CDK2TTK
SCHEMBL8518922 0.81 ALDH1A1 (0.33) ARPGRCCNA2CDK2TTK
SCHEMBL8518907 0.81 AR (0.46) ARPGRPDK1PDK2PDK3
SCHEMBL8519255 0.79 AR (0.36) ARPGRMAPK8TSHRALDH1A1
SCHEMBL10974442 0.77 AR (0.32) ARPDK1PDK2PDK3PDK4
SCHEMBL11031347 0.72 AR (0.36) ARPDK1PDK2PDK3PDK4
SCHEMBL8519174 0.72 MAP4K1 (0.37) TSHRHSD11B1
SCHEMBL10975133 0.70 AR (0.47) ARPGRPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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