SCHEMBL6812591

SCHEMBL6812591

C#CCOc1ccc(CCNC(=O)C(=NOC)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP2B6 P20813 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 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
SCHEMBL6812586 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6816514 0.91 GAA (0.56) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6816519 0.91 GAA (0.56) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6545179 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6545182 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6816615 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6816621 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6816832 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6817046 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTHPGD
SCHEMBL6817047 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP claimed
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US claimed
EP-1140799-A1 NOVEL PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP claimed
WO-2000041998-A1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO claimed
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US disclosed
EP-1140799-A1 NOVEL PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000041998-A1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO disclosed