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SCHEMBL9748321

SCHEMBL9748321

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nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.55
▸ SRD5A2 P31213 1/20 0.51
▸ KCNH2 Q12809 4/20 0.49

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
SCHEMBL9748326 1.00 AR (0.55) ARSRD5A2KCNH2
SCHEMBL5339929 0.89 AR (0.58) ARSRD5A2KCNH2
SCHEMBL5247468 0.89 AR (0.58) ARSRD5A2KCNH2
SCHEMBL9830070 0.88 SRD5A2 (0.52) ARSRD5A2KCNH2
SCHEMBL9830063 0.88 SRD5A2 (0.52) ARSRD5A2KCNH2
SCHEMBL5219066 0.87 SRD5A1 (0.61) ARSRD5A2
SCHEMBL7083069 0.87 SRD5A1 (0.61) ARSRD5A2
SCHEMBL5874196 0.86 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5247649 0.86 AR (0.74) ARSRD5A2KCNH2
SCHEMBL13403347 0.86 AR (0.74) ARSRD5A2KCNH2

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
US-5138063-A Testosterone reductase inhibitors MERCK & CO., INC. (US) 1992-08-11 — — US disclosed
EP-0462661-A2 Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 — — EP disclosed
EP-0462668-A2 New 17beta-aminobenzoyl-4-aza-5alpha-androst-1-en-3-ones as benign prostatic hypertrophy agents MERCK & CO. INC. (US) 1991-12-27 — — EP disclosed