SCHEMBL6544462

SCHEMBL6544462

CCOc1ccc(CCNC(=O)/C(=N\SC)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR1 P21554 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6544465 1.00 ALDH1A1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6545179 0.90 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6545182 0.90 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544298 0.90 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544299 0.90 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544476 0.89 ALDH1A1 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544471 0.89 ALDH1A1 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544464 0.86 GAA (0.52) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544461 0.86 GAA (0.52) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL14559321 0.81 ALDH1A1 (0.53) ALDH1A1MAPTHPGDSMN1; SMN2GAA

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