SCHEMBL8519615

SCHEMBL8519615

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 6/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 2/20 0.35
F2 P00734 1/20 0.35
MAPK8 P45983 4/20 0.34
MAPK9 P45984 3/20 0.34
GAA P10253 4/20 0.33
GLA P06280 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
XDH P47989 1/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 4/20 0.31
CCNA2 P20248 1/20 0.31

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
SCHEMBL8518922 0.86 ALDH1A1 (0.33) KDM4EALDH1A1USP2KMT2AF2
SCHEMBL8519767 0.84 AR (0.38) ALDH1A1MAPK8PGRARCCNA2
SCHEMBL10975698 0.79 PDK1 (0.43) PGRAR
SCHEMBL10984328 0.78 AR (0.34) PGRAR
SCHEMBL10974442 0.77 AR (0.32) AR
SCHEMBL8519174 0.69 MAP4K1 (0.37) KDM4EGAA
SCHEMBL23070168 0.66 LMNA (0.40) KDM4EALDH1A1USP2GAAMAPT
SCHEMBL8518907 0.66 AR (0.46) PGRAR
SCHEMBL31382900 0.66 TRPA1 (0.39) KDM4EALDH1A1GAAGLAMAPT
SCHEMBL10734596 0.64 KDM4E (0.36) KDM4EALDH1A1USP2KMT2AGAA

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