SCHEMBL10764462

SCHEMBL10764462

COc1ccc(C=CC2=NNC(=O)CC2C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 14/20 0.54
▸ PDE3B Q13370 6/20 0.54
▸ PDE4B Q07343 9/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ TUBB1 Q9H4B7 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10766102 0.90 PDE3B (0.58) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10767135 0.87 PDE3A (0.53) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10762400 0.87 PDE3B (0.56) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10760628 0.85 PDE3A (0.51) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10760052 0.85 PDE3B (0.56) PDE3APDE3B
SCHEMBL10763474 0.84 PDE3A (0.50) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10761226 0.83 PDE3A (0.49) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10762914 0.83 PDE3A (0.51) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10766381 0.82 PDE3A (0.50) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10764747 0.82 PDE3A (0.50) PDE3APDE3BPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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