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
SCHEMBL19878139 0.74 ENPP2 (0.38) —
SCHEMBL4402100 0.74 CASP6 (0.59) KDM4EALDH1A1MAPTHPGD
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
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