SCHEMBL4402086

SCHEMBL4402086

O=C(Nc1cccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.40
TIMP3 P35625 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38
RECQL P46063 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.36
CD40 P25942 3/20 0.35
CD40LG P29965 3/20 0.35
TTR P02766 1/20 0.35
FABP4 P15090 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK14 Q16539 1/20 0.35
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
HPSE Q9Y251 2/20 0.34

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
SCHEMBL4403315 0.89 APEX1 (0.39) CASP6TIMP3ALDH1A1MEN1USP2
SCHEMBL4402100 0.84 CASP6 (0.59) CASP6ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19285808 0.83 TIMP3 (0.52) TIMP3ALDH1A1MEN1USP2RECQL
SCHEMBL19878139 0.80 ENPP2 (0.38) CASP6TIMP3PRMT1ENPP2
SCHEMBL10030208 0.80 APEX1 (0.31) APEX1
SCHEMBL4403864 0.75 PARL (0.30) PARL
SCHEMBL4399516 0.74 HDAC1 (0.47) ALDH1A1MEN1KMT2AHSD17B10MAPK1
SCHEMBL4401942 0.74 KMT2A (0.38) ALDH1A1MEN1RECQLKMT2AHSD17B10
SCHEMBL14450488 0.73 CASP6 (0.49) CASP6TIMP3ALDH1A1MEN1USP2
SCHEMBL4401949 0.72 KDM4E (0.30) 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