SCHEMBL6544305

SCHEMBL6544305

C#CCOc1ccc(CCNC(=O)/C(=N\SC)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ALDH1A1 P00352 7/20 0.54
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CNR1 P21554 1/20 0.48
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CTSD P07339 1/20 0.44
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6544306 1.00 GAA (0.55) GAAALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL6544887 0.92 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6544889 0.92 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6545179 0.91 ALDH1A1 (0.48) GAAALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL6545182 0.91 ALDH1A1 (0.48) GAAALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL6544904 0.91 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6544900 0.91 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6545123 0.91 KMT2A (0.47) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6545121 0.91 KMT2A (0.47) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6816514 0.90 GAA (0.56) GAAALDH1A1LMNASMN1; SMN2CNR1

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