SCHEMBL8948717

SCHEMBL8948717

O=C(O)CCCC(=O)CNc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.35
LMNA P02545 3/20 0.34
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
FOLH1 Q04609 1/20 0.31
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL8948809 0.85 TSHR (0.43) TSHRMAPK1LMNAMAPTKMT2A
SCHEMBL8948559 0.77 MAPK1 (0.58) TSHRMAPK1SLC22A6LMNAMAPT
SCHEMBL11631680 0.73 MAPK1 (0.58) TSHRMAPK1SLC22A6LMNAMAPT
SCHEMBL8009914 0.70 LMNA (0.45) TSHRMAPK1LMNA
SCHEMBL9289522 0.67 HCAR3 (0.41) TSHRMAPK1LMNAMAPT
SCHEMBL11637395 0.66 TSHR (0.53) TSHRMAPK1LMNAMAPTKMT2A
SCHEMBL11441037 0.66 HCAR3 (0.38) TSHRMAPK1LMNAMAPT
SCHEMBL15489154 0.66 SMN1; SMN2 (0.38) TSHRMAPK1LMNA
SCHEMBL4587818 0.65 TPMT (0.41) TSHRMAPK1LMNAKMT2A
SCHEMBL8948857 0.65 LMNA (0.46) TSHRMAPK1LMNA

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-5569446-A Radiohalogenation of proteins using trihalophenyl derivatives BRACCO INTERNATIONAL B.V. 1996-10-29 US disclosed
US-5463080-A 2,4,6-triiodo-1,3-benzenedicarboxylic acid compounds used as radiolabelling reagents BRACCO INTERNATIONAL B.V. (NL) 1995-10-31 US disclosed