SCHEMBL4753256

SCHEMBL4753256

Nc1ccc(S(=O)(=O)n2cccn2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
TTR P02766 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NSD2 O96028 7/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.33
IDO1 P14902 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL4753253 0.75 KMT2A (0.57) GAATSHRHTTHSD17B10NSD2
SCHEMBL25532 0.72 POLB (0.58) GAAPOLBTTRTSHRLMNA
SCHEMBL29391601 0.71 GAA (0.54) GAAPKMPOLBMAPT
SCHEMBL6582500 0.71 GAA (0.54) GAAPKMPOLBMAPTALDH1A1
SCHEMBL24254286 0.71 GAA (0.54) GAAPKMPOLBMAPT
SCHEMBL4254051 0.70 POLB (0.54) GAAPKMPOLBTSHRLMNA
SCHEMBL108422 0.69 LDHA (0.64) TTRTSHRHSD17B10NSD2ALDH1A1
SCHEMBL1525888 0.68 TTR (0.78) TTRTSHRMAPTHSD17B10NSD2
SCHEMBL31603821 0.68 TTR (0.50) GAATTRTSHRMAPTHSD17B10
SCHEMBL10730555 0.68 TTR (0.50) GAATTRTSHRHSD17B10NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144937-A1 AUTOMATED SOLID PHASE ANALYTICAL DERIVATIZATION MCMASTER UNIVERSITY (CA) 2008-12-04 WO disclosed