SCHEMBL8839735

SCHEMBL8839735

Nc1c(I)c(C(=O)N(CC(O)CO)CC(O)C(O)CO)c(I)c(-c2c(I)c(N)c(I)c(C(=O)N(CC(O)CO)CC(O)C(O)CO)c2I)c1I

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TYMP P19971 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
SCHEMBL8839674 0.87
SCHEMBL13844908 0.86 CYP2C19 (0.39) CYP2C19HIF1ATYMP
SCHEMBL29665118 0.82 CYP2C19 (0.36) CYP2C19HIF1ATYMP
SCHEMBL7056057 0.82 CYP2C19 (0.36) CYP2C19HIF1ATYMP
SCHEMBL8839897 0.81 LMNA (0.35)
SCHEMBL8824849 0.80 LMNA (0.31) CYP2C19HIF1A
SCHEMBL8839871 0.77 LMNA (0.46) CYP2C19HIF1A
SCHEMBL8824734 0.76 CYP2C19 (0.32) CYP2C19HIF1ATYMP
SCHEMBL7595493 0.73 CYP2C19 (0.36) CYP2C19HIF1ATYMP
SCHEMBL681515 0.72 LMNA (0.50) CYP2C19HIF1ATYMP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618977-A Polyiodinated compounds, process of preparation and contrast agent containing them GUERBET S.A. (FR) 1997-04-08 US disclosed
WO-1994004488-A1 NOVEL POLY-IODATED COMPOUNDS, METHOD OF PREPARATION AND CONTRAST PRODUCT CONTAINING SAME GUERBET S.A. (FR) 1994-03-03 WO disclosed