SCHEMBL6545182

SCHEMBL6545182

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CYP2B6 P20813 1/20 0.41
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
SCHEMBL6545179 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6544305 0.91 GAA (0.55) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6544306 0.91 GAA (0.55) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6544298 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6544299 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6812586 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6812591 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6544465 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6544462 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6544887 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTMEN1

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-1140819-B1 ALFA-SULFENIMINO ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
US-6479550-B1 α-sulfenimino acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-11-12 US disclosed
EP-1140819-A1 ALFA-SULFENIMINO ACID DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000042007-A1 ALFA-SULFENIMINO ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO disclosed