SCHEMBL10739995

SCHEMBL10739995

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
▸ PARP1 P09874 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9636327 0.88 PDE5A (0.37) PDE5APDE3BPDE3APARP1
SCHEMBL10733507 0.87 PDE5A (0.38) PDE5APDE3BPDE3ALMNASMN1; SMN2
SCHEMBL10742305 0.83 PDE5A (0.47) PDE5APDE3BPDE3ALMNA
SCHEMBL10742807 0.83 LMNA (0.38) PDE5APDE3BPDE3ALMNASMN1; SMN2
SCHEMBL10741674 0.83 PDE5A (0.34) PDE5APDE3BPDE3A
SCHEMBL10736276 0.83 PDE5A (0.34) PDE5APDE3BPDE3A
SCHEMBL10739674 0.82 LMNA (0.39) PDE5APDE3BPDE3APARP1LMNA
SCHEMBL10739601 0.82 PDE2A (0.46) PDE5APDE3BPDE3APARP1LMNA
SCHEMBL10737760 0.81 PDE5A (0.35) PDE5APDE3BPDE3APARP1LMNA
SCHEMBL10737627 0.80 PDE5A (0.35) PDE5APDE3BPDE3ASMN1; SMN2NPSR1

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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