Sugi Predict

Sugi Predict / Compounds / SCHEMBL9547041

SCHEMBL9547041

SCHEMBL9547041

CC(CNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 6/20 0.61
▸ SRD5A2 P31213 2/20 0.61

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
SCHEMBL9547036 1.00 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL8496097 0.87 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8496092 0.87 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL7750872 0.83 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL7750876 0.83 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8074083 0.78 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL7745355 0.78 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8074079 0.78 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL7745357 0.78 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8803527 0.78 SRD5A1 (0.76) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed