SCHEMBL6544887

SCHEMBL6544887

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
MAPT P10636 7/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL6544889 1.00 ALDH1A1 (0.49) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL6545121 0.92 KMT2A (0.47) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL6544305 0.92 GAA (0.55) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL6544904 0.92 ALDH1A1 (0.50) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL6544900 0.92 ALDH1A1 (0.50) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL6544306 0.92 GAA (0.55) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL6545123 0.92 KMT2A (0.47) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL6545182 0.88 ALDH1A1 (0.48) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL6545179 0.88 ALDH1A1 (0.48) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL6816621 0.82 ALDH1A1 (0.54) ALDH1A1MAPTGAAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479550-B1 α-sulfenimino acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-11-12 US claimed
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