SCHEMBL4401949

SCHEMBL4401949

O=C(Nc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)ccc4ccc1c2c43)ON1C(=O)CCC1=O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4403864 0.92 PARL (0.30)
SCHEMBL15489095 0.82
SCHEMBL10030211 0.81
SCHEMBL19285808 0.78 TIMP3 (0.52) ALDH1A1MAPT
SCHEMBL4399520 0.77 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGD
SCHEMBL4402100 0.74 CASP6 (0.59) KDM4EALDH1A1MAPTHPGD
SCHEMBL19878139 0.74 ENPP2 (0.38)
SCHEMBL4403315 0.74 APEX1 (0.39) ALDH1A1
SCHEMBL10030202 0.72 HPGD (0.41) KDM4EMAPTHPGD
SCHEMBL4402086 0.72 CASP6 (0.40) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed
US-20120107942-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2012-05-03 US disclosed