SCHEMBL8948857

SCHEMBL8948857

O=C(O)CNC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APEX1 P27695 1/20 0.33
ABAT P80404 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8948585 0.83 NLRP3 (0.47) LMNATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11700573 0.79 LMNA (0.58) LMNATSHRMAPK1SMN1; SMN2APEX1
SCHEMBL11347525 0.72 LMNA (0.51) LMNASMN1; SMN2APEX1
SCHEMBL8727104 0.72 TSHR (0.47) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL11387512 0.72 TSHR (0.47) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL5555241 0.71 LMNA (0.38) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL8752140 0.71 LMNA (0.67) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL22645201 0.70 TSHR (0.46) LMNATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11694667 0.70 APEX1 (0.43) LMNATSHRAPEX1ALDH1A1
SCHEMBL8948559 0.70 MAPK1 (0.58) LMNATSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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