SCHEMBL13883282

SCHEMBL13883282

Cc1c(NC(=O)CO)c(I)c(C(=O)NC(CO)CO)c(I)c1C(=O)NCCCNC(=O)c1c(I)c(NC(=O)CO)c(I)c(C(=O)NC(CO)CO)c1I

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL3068295 0.93 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL13882422 0.85 LMNA (0.52) LMNACYP2C19HIF1A
SCHEMBL13883277 0.84 LMNA (0.50) LMNACYP2C19HIF1A
SCHEMBL15760478 0.84 LMNA (0.67) LMNACYP2C19HIF1A
SCHEMBL13882835 0.80 LMNA (0.61) LMNACYP2C19HIF1A
SCHEMBL8374109 0.80 LMNA (0.62) LMNA
SCHEMBL13882664 0.78 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL3062459 0.77 LMNA (0.54) LMNACYP2C19HIF1A
SCHEMBL21015237 0.76 LMNA (0.57) LMNA
SCHEMBL8378595 0.76 LMNA (0.60) 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-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed