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Sugi Predict / Compounds / SCHEMBL5069389

SCHEMBL5069389

SCHEMBL5069389

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(=Cc3ccc(OC(F)(F)F)cc3)[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.51
▸ KCNH2 Q12809 12/20 0.47

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
SCHEMBL5069391 1.00 AR (0.51) ARKCNH2
SCHEMBL5069386 1.00 AR (0.51) ARKCNH2
SCHEMBL5069401 0.91 AR (0.51) ARKCNH2
SCHEMBL5069398 0.91 AR (0.51) ARKCNH2
SCHEMBL5071057 0.87 AR (0.56) ARKCNH2
SCHEMBL5071056 0.87 AR (0.56) ARKCNH2
SCHEMBL5072802 0.86 AR (0.61) ARKCNH2
SCHEMBL5072801 0.86 AR (0.61) ARKCNH2
SCHEMBL5072800 0.86 AR (0.61) ARKCNH2
SCHEMBL5071132 0.85 AR (0.54) ARKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 — — EP claimed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 — — EP claimed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 — — WO claimed