SCHEMBL8948559

SCHEMBL8948559

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11631680 0.97 MAPK1 (0.58) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL11630623 0.89 MAPK1 (0.51) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL11632892 0.89 MAPK1 (0.48) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL11630993 0.87 TSHR (0.52) MAPK1TSHRALDH1A1TDP1KMT2A
SCHEMBL11637395 0.86 TSHR (0.53) MAPK1TSHRPOLBLMNAKDM4E
SCHEMBL8948705 0.84 MEN1 (0.56) MAPK1TSHRLMNAKMT2AMEN1
SCHEMBL11631270 0.82 MAPK1 (0.45) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL11633215 0.82 LMNA (0.71) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL9009086 0.82 TSHR (0.53) MAPK1TSHRLMNAGAA
Iocarmic Acid SCHEMBL38580 0.81 TSHR (0.56) MAPK1TSHRLMNAKDM4EKMT2A

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