SCHEMBL7589638

SCHEMBL7589638

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7590263 0.85 TDP1 (0.31) LMNATDP1
SCHEMBL9317327 0.78 LMNA (0.47) LMNASMN1; SMN2
SCHEMBL3020429 0.76 LMNA (0.46) LMNASMN1; SMN2
SCHEMBL6228009 0.75 LMNA (0.44) LMNASMN1; SMN2
SCHEMBL3026646 0.75 LMNA (0.36) LMNATDP1
SCHEMBL3016225 0.75 LMNA (0.40) LMNA
SCHEMBL7589733 0.75 LMNA (0.38) LMNASMN1; SMN2
SCHEMBL6228292 0.74 LMNA (0.33) LMNA
SCHEMBL3013388 0.74 LMNA (0.50) LMNA
SCHEMBL3020914 0.74 LMNA (0.38) LMNA

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-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed