SCHEMBL9548475

SCHEMBL9548475

NC(=O)c1c(I)c(NC(=O)C(O)CCO)c(I)c(C(=O)N(CCO)CC(O)CO)c1I

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL9287998 0.91 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL9189736 0.85 LMNA (0.41) LMNACYP2C19HIF1A
SCHEMBL9191001 0.85 LMNA (0.44) LMNACYP2C19HIF1A
SCHEMBL9194255 0.85 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL9194278 0.83 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL9194498 0.82 LMNA (0.43) LMNACYP2C19HIF1A
SCHEMBL7594716 0.82 LMNA (0.37) LMNACYP2C19HIF1A
SCHEMBL9393720 0.81 LMNA (0.45) LMNACYP2C19HIF1A
SCHEMBL3060064 0.81 LMNA (0.45) LMNACYP2C19HIF1A
SCHEMBL10454222 0.81 LMNA (0.52) 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
WO-1993010825-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-06-10 WO claimed