SCHEMBL10739674

SCHEMBL10739674

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOA P21397 1/20 0.37
▸ FGFR1 P11362 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ PDE5A O76074 2/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL10733296 0.92 PDE2A (0.46) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10739601 0.92 PDE2A (0.46) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10735022 0.90 LMNA (0.35) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10737718 0.90 LMNA (0.35) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10735009 0.90 TOP1 (0.37) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10743319 0.90 LMNA (0.37) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL9635742 0.86 PDE5A (0.39) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10742807 0.85 LMNA (0.38) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10737760 0.84 PDE5A (0.35) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL10740425 0.84 LMNA (0.39) LMNASMN1; SMN2NPSR1MAPTMEN1

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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