SCHEMBL4565243

SCHEMBL4565243

O=S(=O)(O)c1cc(I)c(S(=O)(=O)O)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.35
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TTR P02766 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
PGAM1 P18669 1/20 0.31
ING2 Q9H160 1/20 0.31

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
SCHEMBL2846124 0.86 BRD4 (0.34) TET2HSD17B10ALDH1A1TDP1LMNA
SCHEMBL197382 0.83 RAD51 (0.41) TET2HSD17B10TTRCA1CA2
SCHEMBL2848985 0.83 TET2 (0.41) TET2HSD17B10TTRCA1CA2
SCHEMBL2842600 0.81 BRD4 (0.34) TET2HSD17B10ALDH1A1TDP1SMN1; SMN2
SCHEMBL2844078 0.81 HTR2A (0.39) HSD17B10ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL2840799 0.78 HPGD (0.34) TET2HSD17B10ALDH1A1TDP1TTR
SCHEMBL18066938 0.78 LMNA (0.50) TET2HSD17B10ALDH1A1TDP1CASP1
SCHEMBL19730666 0.78 PGAM1 (0.46) TET2HSD17B10ALDH1A1TDP1CASP1
SCHEMBL1619161 0.76 TET2 (0.37) TET2HSD17B10CA1CA2CA9
SCHEMBL2840569 0.76 ALDH1A1 (0.38) HSD17B10ALDH1A1TDP1TSHRSMN1; SMN2

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
US-20090259013-A1 LIQUID CRYSTAL POLY(PHENYLENE DISULFONIC ACIDS) CASE WESTERN RESERVE UNIVERSITY 2009-10-15 US disclosed