SCHEMBL8562054

SCHEMBL8562054

O=C(NCC(O)CO)c1c(I)c(NN(C(=O)CO)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(O)CO)c2I)c(I)c(C(O)CO)c1I

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
MAP2K1 Q02750 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
SCHEMBL7595391 0.78 LMNA (0.51) LMNACYP2C19HIF1AMAP2K1
SCHEMBL8562051 0.73 LMNA (0.46) LMNACYP2C19HIF1A
SCHEMBL7596337 0.73 LMNA (0.48) LMNACYP2C19HIF1AMAP2K1
SCHEMBL9735781 0.72 LMNA (0.60) LMNACYP2C19HIF1AMAP2K1
Iomeprol SCHEMBL26981 0.72 LMNA (0.63) LMNACYP2C19HIF1AMAP2K1
SCHEMBL9737493 0.71 LMNA (0.77) LMNACYP2C19HIF1AMAP2K1
SCHEMBL9736495 0.70 LMNA (0.60) LMNACYP2C19HIF1AMAP2K1
Ioversol SCHEMBL24711 0.70 LMNA (0.64) LMNACYP2C19HIF1AMAP2K1
Ioversol SCHEMBL9745016 0.70 LMNA (0.64) LMNACYP2C19HIF1AMAP2K1
SCHEMBL11296490 0.70 LMNA (0.64) LMNACYP2C19HIF1AMAP2K1

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
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed