SCHEMBL636440

SCHEMBL636440

Nc1ccc(S(=O)(=O)[Pb])c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.50
IDO1 P14902 2/20 0.43
EP300 Q09472 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
HDAC3 O15379 1/20 0.43
KAT2B Q92831 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
NSD2 O96028 6/20 0.43
LDHA P00338 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39

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
SCHEMBL108422 0.81 LDHA (0.64) TTRIDO1EP300KAT8HDAC3
SCHEMBL150853 0.79 TTR (0.78) TTRIDO1EP300KAT8HDAC3
SCHEMBL10730555 0.79 TTR (0.50) TTRIDO1EP300KAT8HDAC3
SCHEMBL109003 0.79 TTR (0.50) TTRIDO1EP300KAT8HDAC3
SCHEMBL31603821 0.79 TTR (0.50) TTRIDO1EP300KAT8HDAC3
SCHEMBL38143 0.79 TTR (0.50) TTRIDO1EP300KAT8HDAC3
SCHEMBL19922628 0.79 TTR (0.50) TTRIDO1EP300KAT8HDAC3
SCHEMBL1525888 0.79 TTR (0.78) TTRIDO1EP300KAT8HDAC3
SCHEMBL29516385 0.79 TTR (0.78) TTRIDO1EP300KAT8HDAC3
SCHEMBL11528163 0.79 TTR (0.50) TTRIDO1EP300KAT8HDAC3

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
US-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 US disclosed