SCHEMBL18923658

SCHEMBL18923658

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

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CD69 Q07108 1/20 0.32
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HK1 P19367 2/20 0.31
HK2 P52789 2/20 0.31
CHIA Q9BZP6 1/20 0.31
MAPK1 P28482 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
Metrizamide SCHEMBL24383 0.84 LMNA (1.00) LMNAKDM4ECYP2D6CYP2C19CA1
Metrizamide SCHEMBL16984723 0.84 LMNA (1.00) LMNAKDM4ECYP2D6CYP2C19CA1
Metrizamide SCHEMBL8678604 0.84 LMNA (1.00) LMNAKDM4ECYP2D6CYP2C19CA1
Metrizamide SCHEMBL1650311 0.84 LMNA (1.00) LMNAKDM4ECYP2D6CYP2C19CA1
Metrizamide SCHEMBL11048850 0.84 LMNA (1.00) LMNAKDM4ECYP2D6CYP2C19CA1
Metrizamide SCHEMBL24382 0.84 LMNA (1.00) LMNAKDM4ECYP2D6CYP2C19CA1
Metrizamide SCHEMBL433082 0.73 LMNA (0.76) LMNAKDM4ECYP2D6CYP2C19HK1
SCHEMBL10259157 0.73 LMNA (0.68) LMNA
Metrizamide SCHEMBL17909957 0.73 LMNA (0.75) LMNAKDM4ECYP2D6CYP2C19CA2
Iohexol SCHEMBL28086756 0.72 LMNA (0.73) LMNAKDM4ECYP2D6CYP2C19HK1

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
US-9669137-B2 Modified polylactide polymers ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2017-06-06 US disclosed