SCHEMBL10736276

SCHEMBL10736276

C#CCOc1cc([S+](C)[O-])ccc1-c1nc2cnncc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ PGK1 P00558 1/20 0.31
▸ MAOB P27338 2/20 0.31

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
SCHEMBL10741674 0.90 PDE5A (0.34) PDE5APDE3BPDE3A
SCHEMBL9634524 0.88 PDE5A (0.37) PDE5APDE3BPDE3ATOP1TOP2A
SCHEMBL10733507 0.87 PDE5A (0.38) PDE5APDE3BPDE3AMAOB
SCHEMBL10742305 0.83 PDE5A (0.47) PDE5APDE3BPDE3A
SCHEMBL10740635 0.83 TOP1 (0.38) PDE5APDE3BPDE3ATOP1TOP2A
SCHEMBL10739995 0.83 PDE5A (0.34) PDE5APDE3BPDE3A
SCHEMBL10739175 0.82 TOP1 (0.41) PDE5APDE3BPDE3ATOP1TOP2A
SCHEMBL10739019 0.82 PDE2A (0.46) PDE5APDE3BPDE3ATOP1TOP2A
SCHEMBL10741095 0.81 AMY1A (0.38) PDE5APDE3BPDE3ATOP1TOP2A
SCHEMBL10739751 0.81 PDE5A (0.35) PDE5APDE3BPDE3ATOP1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 — — US disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 — — EP disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 — — US disclosed
US-4477454-A INDOTROPIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 — — US disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 — — EP disclosed
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