SCHEMBL10733296

SCHEMBL10733296

C=CCOc1ccc(-c2nc3cnncc3[nH]2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.46
▸ PDE5A O76074 4/20 0.44
▸ PDE3B Q13370 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ AMY1A P0DUB6 4/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ RUNX1 Q01196 1/20 0.37

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
SCHEMBL10739674 0.92 LMNA (0.39) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL10739601 0.91 PDE2A (0.46) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL9635925 0.87 PDE5A (0.47) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL10741054 0.86 PDE2A (0.49) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL10743319 0.85 LMNA (0.37) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL10735022 0.85 LMNA (0.35) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL10734755 0.84 PDE2A (0.57) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL10742807 0.84 LMNA (0.38) PDE2APDE5APDE3BPDE3ALMNA
SCHEMBL10740425 0.83 LMNA (0.39) LMNASMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL10735009 0.83 TOP1 (0.37) PDE2APDE5APDE3BPDE3ALMNA

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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