SCHEMBL6545123

SCHEMBL6545123

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 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
SCHEMBL6545121 1.00 KMT2A (0.47) KMT2ASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL6544889 0.92 ALDH1A1 (0.49) KMT2ASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL6544887 0.92 ALDH1A1 (0.49) KMT2ASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL6544306 0.91 GAA (0.55) SMN1; SMN2MAPTALDH1A1HPGDGAA
SCHEMBL6544305 0.91 GAA (0.55) SMN1; SMN2MAPTALDH1A1HPGDGAA
SCHEMBL6544904 0.91 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1HPGDGAA
SCHEMBL6544900 0.91 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1HPGDGAA
SCHEMBL6545179 0.88 ALDH1A1 (0.48) KMT2ASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL6545182 0.88 ALDH1A1 (0.48) KMT2ASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL6816621 0.81 ALDH1A1 (0.54) KMT2ASMN1; SMN2MAPTALDH1A1HPGD

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