SCHEMBL4763755

SCHEMBL4763755

Nc1cccc2cc(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CASP6 P55212 1/20 0.36
CYP2D6 P10635 1/20 0.36
FABP4 P15090 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK14 Q16539 1/20 0.36
SUMO2 P61956 1/20 0.35
SUMO1 P63165 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP2 Q9HC62 1/20 0.35

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
SCHEMBL28041867 0.89 TTR (0.45) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL11047153 0.87 AURKA (0.45) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL28118203 0.83 AURKA (0.44) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL28065908 0.83 AURKA (0.50) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL27999216 0.80 TTR (0.46) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL2161129 0.78 AURKA (0.49) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL179823 0.77 TTR (0.58) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL29360969 0.77 TTR (0.58) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL11433276 0.77 AURKA (0.47) TTRAURKAAURKBCYP1A2HSD17B10
SCHEMBL30819408 0.77 SUMO2 (0.53) TTRAURKAAURKBCYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883821-A1 AUTOMATED GLYCOFINGERPRINTING STRATEGY Dwek, Raymond A. (GB) 2008-02-06 EP claimed
WO-2006114663-A1 AUTOMATED GLYCOFINGERPRINTING STRATEGY DWEK RAYMOND A (GB) 2006-11-02 WO claimed
US-6897196-B1 pH sensitive lipids based on ortho ester linkers, composition and method THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-24 US disclosed
US-6746868-B1 PEPTIDE NUCLEIC ACIDS LINKED TO PEPTIDES WHICH HYBRIDIZE TO DNA AND CAN BE USED TO MONITOR THE INTRACELLULAR LOCATION OF EXOGENOUS TRANSFECTED DNA AND TO PROMOTE VARIOUS INTRACELLULAR PROCESSES ISIS PHARMACEUTICALS, INC. 2004-06-08 US disclosed
US-6165720-A Chemical modification of DNA using peptide nucleic acid conjugates GENE THERAPY SYSTEMS (US) 2000-12-26 US disclosed