SCHEMBL11545562

SCHEMBL11545562

COCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NC(COC(=O)COC)(COC(=O)COC)COC(=O)COC)c1I

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.32
KDM4C Q9H3R0 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
PKM P14618 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
SCHEMBL11545376 0.86 LMNA (0.46) LMNAMAPK1TSHRHTTKDM4C
Ammonia Solution, Strong SCHEMBL11547117 0.85 LMNA (0.45) LMNAMAPK1TSHRHTTKDM4C
SCHEMBL4311751 0.81 LMNA (0.47) LMNAMAPK1TSHRHTTKDM4C
SCHEMBL11522281 0.80 LMNA (0.45) LMNAMAPK1TSHRHTTKDM4C
Hydrochloric Acid SCHEMBL1020768 0.80 LMNA (0.46) LMNAMAPK1TSHRHTTKDM4C
SCHEMBL11406813 0.79 LMNA (0.47) LMNAMAPK1TSHRHTTKDM4C
SCHEMBL11545347 0.78 LMNA (0.49) LMNAMAPK1TSHR
SCHEMBL11521825 0.78 LMNA (0.44) LMNAMAPK1TSHRHTTKDM4C
SCHEMBL11593788 0.76 LMNA (0.48) LMNAMAPK1TSHRHTTKDM4C
SCHEMBL29557173 0.75 LMNA (0.43) LMNAMAPK1TSHRHTTKDM4C

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-4138589-A CHEMICAL INTERMEDIATES FOR COMPOUNDS USED AS X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1979-02-06 US disclosed
US-4069250-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-01-17 US disclosed