SCHEMBL8948758

SCHEMBL8948758

CC(C)NC(=O)c1c(I)c(NC(=O)CCCC(=O)O)c(I)c(C(=O)NC(C)C)c1I

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9283780 0.95 LMNA (0.42) LMNAMAPK1TSHRALDH1A1KDM4E
SCHEMBL8948807 0.88 MEN1 (0.51) LMNAMAPK1TSHRMAPTKMT2A
SCHEMBL11632856 0.81 MAPK1 (0.46) MAPK1TSHRALDH1A1MAPTKMT2A
SCHEMBL8948559 0.81 MAPK1 (0.58) LMNAMAPK1TSHRALDH1A1KDM4E
SCHEMBL11631680 0.77 MAPK1 (0.58) LMNAMAPK1TSHRALDH1A1KDM4E
SCHEMBL31671035 0.76 LMNA (0.53) LMNAMAPK1TSHRALDH1A1KDM4E
SCHEMBL11637100 0.74 MAPK1 (0.44) MAPK1TSHRALDH1A1MAPTKMT2A
SCHEMBL11632892 0.74 MAPK1 (0.48) LMNAMAPK1TSHRALDH1A1KDM4E
SCHEMBL8948705 0.72 MEN1 (0.56) LMNAMAPK1TSHRMAPTKMT2A
Iocarmic Acid SCHEMBL38580 0.72 TSHR (0.56) LMNAMAPK1TSHRKDM4EKMT2A

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