SCHEMBL6544461

SCHEMBL6544461

COc1ccc(CCNC(=O)/C(=N\SC)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 1/20 0.45
CNR1 P21554 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL6544464 1.00 GAA (0.52) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6544288 0.91 GAA (0.63) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6544284 0.91 GAA (0.63) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6544510 0.88 ALDH1A1 (0.58) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6545074 0.88 ALDH1A1 (0.61) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6544508 0.88 ALDH1A1 (0.58) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6545079 0.88 ALDH1A1 (0.61) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6544737 0.87 ALDH1A1 (0.57) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6544741 0.87 ALDH1A1 (0.57) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6544465 0.86 ALDH1A1 (0.52) GAAALDH1A1LMNASMN1; SMN2MAPT

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