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Iohexol

Iohexol

SCHEMBL28086756

CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.73
▸ CYP2C19 P33261 2/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ LGALS3 P17931 1/20 0.33
▸ HK1 P19367 3/20 0.32
▸ HK2 P52789 3/20 0.32

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
Ioversol SCHEMBL7774956 0.90 LMNA (0.69) LMNACYP2C19HIF1AKDM4ECYP2D6
Metrizamide SCHEMBL8373063 0.87 LMNA (0.64) LMNACYP2C19HIF1AKDM4ECYP2D6
Metrizamide SCHEMBL16984723 0.85 LMNA (1.00) LMNACYP2C19KDM4ECYP2D6LGALS3
Metrizamide SCHEMBL24383 0.85 LMNA (1.00) LMNACYP2C19KDM4ECYP2D6LGALS3
Metrizamide SCHEMBL24382 0.85 LMNA (1.00) LMNACYP2C19KDM4ECYP2D6LGALS3
Metrizamide SCHEMBL1650311 0.85 LMNA (1.00) LMNACYP2C19KDM4ECYP2D6LGALS3
Metrizamide SCHEMBL11048850 0.85 LMNA (1.00) LMNACYP2C19KDM4ECYP2D6LGALS3
Metrizamide SCHEMBL8678604 0.85 LMNA (1.00) LMNACYP2C19KDM4ECYP2D6LGALS3
Metrizamide SCHEMBL433082 0.80 LMNA (0.76) LMNACYP2C19KDM4ECYP2D6LGALS3
SCHEMBL15688435 0.78 LMNA (0.80) LMNACYP2C19HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103492389-B Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases 原真股份有限公司 2016-09-14 — — CN disclosed