SCHEMBL11545347

SCHEMBL11545347

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL11545515 0.90 LMNA (0.47) LMNASMN1; SMN2
SCHEMBL11553863 0.87 LMNA (0.58) LMNASMN1; SMN2
SCHEMBL11545664 0.85 LMNA (0.52) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL11545272 0.84 LMNA (0.31) LMNA
SCHEMBL11521895 0.78 LMNA (0.51) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL11545562 0.78 LMNA (0.41) LMNATSHRMAPK1
SCHEMBL8752140 0.78 LMNA (0.67) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL11547072 0.78 LMNA (0.56) LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8089018 0.76 LMNA (0.65) LMNASMN1; SMN2TSHRMAPK1
Iothalamic Acid SCHEMBL38419 0.75 LMNA (0.56) LMNASMN1; SMN2TSHRMAPK1

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