SCHEMBL5070935

SCHEMBL5070935

CN1C(=O)C=C[C@@]2(C)C1C(=Cc1cccc(F)c1)C[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.64
KCNH2 Q12809 13/20 0.64
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5073752 1.00 AR (0.64) ARKCNH2KDM4E
SCHEMBL5073749 1.00 AR (0.64) ARKCNH2KDM4E
SCHEMBL5070203 0.91 AR (0.63) ARKCNH2
SCHEMBL5070197 0.91 AR (0.63) ARKCNH2
SCHEMBL5070200 0.91 AR (0.63) ARKCNH2
SCHEMBL5070995 0.91 AR (0.53) ARKCNH2
SCHEMBL5070996 0.91 AR (0.53) ARKCNH2
SCHEMBL5070993 0.91 AR (0.53) ARKCNH2
SCHEMBL5070306 0.90 AR (0.52) ARKCNH2
SCHEMBL5069356 0.90 AR (0.52) 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 6 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
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 EP disclosed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 WO disclosed