SCHEMBL11017552

SCHEMBL11017552

O=C1CCC(/C=C/c2ccc(-n3ccnc3)s2)=NN1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.65
▸ PDE3A Q14432 12/20 0.65
▸ LMNA P02545 4/20 0.48
▸ PDE4A P27815 2/20 0.48
▸ PDE4B Q07343 2/20 0.48
▸ PDE4C Q08493 2/20 0.48
▸ PDE4D Q08499 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PTGS1 P23219 3/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11017553 1.00 PDE3B (0.65) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11020974 0.79 PDE3B (0.52) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11020978 0.79 PDE3B (0.52) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7297228 0.79 PDE3B (1.00) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7290070 0.79 PDE3B (1.00) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11020516 0.78 PDE3B (0.49) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11020513 0.78 PDE3B (0.49) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL10648314 0.78 PDE3B (0.60) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11021355 0.77 RAB9A (0.49) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11018273 0.77 PDE3B (0.67) PDE3BPDE3ALMNAPDE4APDE4B

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-0150463-A1 Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same A. Nattermann & Cie. GmbH (DE) 1985-08-07 — — EP disclosed
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