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Sugi Predict / Compounds / SCHEMBL8909777

SCHEMBL8909777

SCHEMBL8909777

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(CNC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.55
▸ KCNH2 Q12809 6/20 0.50
▸ SRD5A2 P31213 1/20 0.48

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
SCHEMBL8525204 1.00 AR (0.55) ARKCNH2SRD5A2
SCHEMBL8525106 0.91 AR (0.52) ARKCNH2SRD5A2
SCHEMBL8909880 0.91 AR (0.52) ARKCNH2SRD5A2
SCHEMBL8498401 0.89 AR (0.60) ARKCNH2SRD5A2
SCHEMBL9227508 0.89 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8498395 0.89 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8496093 0.88 AR (0.52) ARKCNH2SRD5A2
SCHEMBL8496096 0.88 AR (0.52) ARKCNH2SRD5A2
SCHEMBL8904819 0.87 AR (0.59) ARKCNH2SRD5A2
SCHEMBL8904814 0.87 AR (0.59) 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
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 — — US claimed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. — 1995-05-03 — — EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 — — EP claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed