SCHEMBL8518907

SCHEMBL8518907

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.46
PGR P06401 3/20 0.40
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL10975133 0.89 AR (0.47) ARPGRPDK1PDK2PDK3
SCHEMBL8519767 0.81 AR (0.38) ARPGRPDK1PDK2PDK3
SCHEMBL10975698 0.73 PDK1 (0.43) ARPGRPDK1PDK2PDK3
SCHEMBL324996 0.72 AR (0.57) AR
SCHEMBL11939273 0.70 AR (0.42) ARPGR
SCHEMBL10984328 0.69 AR (0.34) ARPGRPDK1PDK2PDK3
SCHEMBL25197764 0.68 AR (0.41) ARPGR
SCHEMBL10069178 0.68 AR (0.41) ARPGR
SCHEMBL2968418 0.68 AR (0.42) ARPGR
SCHEMBL8519255 0.67 AR (0.36) ARPGR

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 8 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
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