SCHEMBL8378595

SCHEMBL8378595

O=C(Nc1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC(CO)CO)c1I)Nc1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC(CO)CO)c1I

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL8375497 0.91 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL619948 0.91 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL14310826 0.87 LMNA (0.83) LMNACYP2C19HIF1A
SCHEMBL2764077 0.85 LMNA (0.50) LMNACYP2C19HIF1A
SCHEMBL8379792 0.83 LMNA (0.51) LMNACYP2C19HIF1AMAP2K2MAP2K1
SCHEMBL8382143 0.83 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL3068295 0.82 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL8382140 0.81 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL8381823 0.81 CYP2C19 (0.52) LMNACYP2C19HIF1A
SCHEMBL8377985 0.81 LMNA (0.45) 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
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 EP disclosed