SCHEMBL13844908

SCHEMBL13844908

Nc1c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c1I

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 2/20 0.36
TYMP P19971 1/20 0.33

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
SCHEMBL7056057 0.95 CYP2C19 (0.36) CYP2C19HIF1ALMNATYMP
SCHEMBL29665118 0.95 CYP2C19 (0.36) CYP2C19HIF1ALMNATYMP
SCHEMBL8839735 0.86 CYP2C19 (0.31) CYP2C19HIF1ATYMP
SCHEMBL681515 0.84 LMNA (0.50) CYP2C19HIF1ALMNATYMP
SCHEMBL8720205 0.83 CYP2C19 (0.36) CYP2C19HIF1ALMNATYMP
SCHEMBL7595493 0.82 CYP2C19 (0.36) CYP2C19HIF1ALMNATYMP
SCHEMBL10305674 0.80 CYP2C19 (0.39) CYP2C19HIF1ALMNATYMP
SCHEMBL9843094 0.78 LMNA (0.46) CYP2C19HIF1ALMNATYMP
Malonic Acid SCHEMBL11132766 0.78 LMNA (0.48) CYP2C19HIF1ALMNATYMP
SCHEMBL622008 0.77 CYP2C19 (0.35) CYP2C19HIF1ALMNA

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-2009056555-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-05-07 WO disclosed