SCHEMBL28835487

SCHEMBL28835487

CC(=O)OCC(COC(C)=O)c1c(I)c(C(N)=O)c(I)c(C(N)=O)c1I

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7986009 0.73 TDP1 (0.36) TDP1
SCHEMBL28835490 0.73 ALOX15 (0.33) ALDH1A1
SCHEMBL8357777 0.71 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL7108841 0.71
SCHEMBL9009392 0.70 TDP1 (0.33) TDP1LMNA
SCHEMBL8357781 0.68 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL8147240 0.65 POLB (0.41) TDP1CYP1A2ALDH1A1LMNAHSD17B10
SCHEMBL9581406 0.64 POLB (0.44) TDP1CYP1A2NPSR1ALDH1A1LMNA
SCHEMBL9787585 0.63 KDM4E (0.31) ALDH1A1LMNAHSD17B10
SCHEMBL34467209 0.62 POLB (0.39) TDP1CYP1A2ALDH1A1LMNAHSD17B10

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
CN-115010617-B Preparation method of iopamidol 安徽普利药业有限公司 2024-06-11 CN disclosed
CN-115010617-A Preparation method of iopamidol 安徽普利药业有限公司 2022-09-06 CN disclosed