Sugi Predict

Sugi Predict / Compounds / SCHEMBL2641306

SCHEMBL2641306

SCHEMBL2641306

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Nc5ccncc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.62
▸ KCNH2 Q12809 6/20 0.59
▸ SRD5A2 P31213 1/20 0.51

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
SCHEMBL2641308 1.00 AR (0.62) ARKCNH2SRD5A2
SCHEMBL2641397 0.89 AR (0.59) ARKCNH2
SCHEMBL2641398 0.89 AR (0.59) ARKCNH2
SCHEMBL2641446 0.87 AR (0.58) ARKCNH2SRD5A2
SCHEMBL2641448 0.87 AR (0.58) ARKCNH2SRD5A2
SCHEMBL2639847 0.86 AR (0.62) ARKCNH2SRD5A2
SCHEMBL8904181 0.86 AR (0.62) ARKCNH2SRD5A2
SCHEMBL8904177 0.86 AR (0.62) ARKCNH2SRD5A2
SCHEMBL2641438 0.85 AR (0.63) ARKCNH2SRD5A2
SCHEMBL2641440 0.85 AR (0.63) ARKCNH2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4832303-B2 — — 2011-12-07 — — JP claimed
EP-1622567-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2009-04-29 — — EP claimed
EP-1622567-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2006-02-08 — — EP claimed
WO-2004100874-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2004-11-25 — — WO claimed