SCHEMBL9519781

SCHEMBL9519781

N#CC=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.54
PDE4B Q07343 11/20 0.54
PDE4C Q08493 11/20 0.54
PDE4D Q08499 11/20 0.54
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
WDR5 P61964 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
PTPN1 P18031 1/20 0.38
GSK3B P49841 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
Benzene SCHEMBL28266121 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL247446 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL8526041 0.82 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL4821604 0.82 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL8526044 0.82 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL13985939 0.82 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL4821599 0.82 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL17412169 0.80 RECQL (0.61) MAPTSMN1; SMN2WDR5NPC1RAB9A
SCHEMBL11753040 0.80 SMN1; SMN2 (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28724952 0.80 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed