SCHEMBL8948809

SCHEMBL8948809

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8948717 0.85 TSHR (0.38) TSHRKMT2AMAPK1LMNAMAPT
SCHEMBL8948705 0.79 MEN1 (0.56) TSHRMEN1KMT2AMAPK1LMNA
SCHEMBL8948812 0.71 TSHR (0.43) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL8948585 0.69 NLRP3 (0.47) TSHRMAPK1LMNAALDH1A1KDM4E
SCHEMBL22906082 0.68 SMN1; SMN2 (0.38) TSHRMEN1KMT2AMAPK1LMNA
SCHEMBL25279991 0.68 TSHR (0.83) TSHRMEN1KMT2ALMNAALDH1A1
Ethylene SCHEMBL11220916 0.66 TSHR (0.88) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL50039 0.66 TSHR (1.00) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL28238018 0.66 TSHR (1.00) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL29152108 0.65 TSHR (0.68) TSHRMEN1KMT2ALMNAALDH1A1

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