SCHEMBL6544904

SCHEMBL6544904

C#CCOc1ccc(CCNC(=O)C(=NSC)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
GRK2 P25098 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL6544900 1.00 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6544887 0.92 ALDH1A1 (0.49) ALDH1A1MAPTPOLBHPGDSMN1; SMN2
SCHEMBL6544889 0.92 ALDH1A1 (0.49) ALDH1A1MAPTPOLBHPGDSMN1; SMN2
SCHEMBL6545123 0.91 KMT2A (0.47) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544305 0.91 GAA (0.55) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544306 0.91 GAA (0.55) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6545121 0.91 KMT2A (0.47) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6817046 0.90 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6817047 0.90 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6545179 0.88 ALDH1A1 (0.48) 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