SCHEMBL8948705

SCHEMBL8948705

COC(=O)CCCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 4/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA3 P07451 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA13 Q8N1Q1 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
PTPRC P08575 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL11631931 0.85 MEN1 (0.45) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL8948559 0.84 MAPK1 (0.58) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL8948807 0.83 MEN1 (0.51) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL11631451 0.82 TSHR (0.45) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL11630537 0.81 TSHR (0.44) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL11631680 0.81 MAPK1 (0.58) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL8948809 0.79 TSHR (0.43) MEN1KMT2ATSHRMAPK1L3MBTL1
Iocarmic Acid SCHEMBL38580 0.79 TSHR (0.56) MEN1KMT2ATSHRMAPK1LMNA
Iosefamic Acid SCHEMBL38639 0.78 TSHR (0.55) TSHRMAPK1LMNASMN1; SMN2
Iosefamic Acid SCHEMBL29400390 0.78 TSHR (0.55) TSHRMAPK1LMNASMN1; 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 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