SCHEMBL11545376

SCHEMBL11545376

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 4/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 3/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL11547117 0.99 LMNA (0.45) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11522281 0.89 LMNA (0.45) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11547743 0.88 LMNA (0.44) LMNAHPGDHTTALDH1A1ABCC9
SCHEMBL11545562 0.86 LMNA (0.41) LMNATSHRMAPK1HPGDHTT
SCHEMBL4311751 0.85 LMNA (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11521825 0.84 LMNA (0.44) LMNATSHRMAPK1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1020768 0.84 LMNA (0.46) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11406813 0.83 LMNA (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11545664 0.83 LMNA (0.52) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL11522677 0.81 LMNA (0.52) LMNATSHRMAPK1SMN1; SMN2HPGD

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