SCHEMBL7095049

SCHEMBL7095049

NC(=O)c1c(I)c(NCC(=O)CO)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c1I

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL5162293 0.82 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL1048643 0.80 LMNA (0.44) LMNACYP2C19HIF1A
SCHEMBL7607980 0.80 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL2763433 0.80 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL10318442 0.80 LMNA (0.44) LMNACYP2C19HIF1A
SCHEMBL15988175 0.79 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL29665118 0.79 CYP2C19 (0.36) LMNACYP2C19HIF1A
SCHEMBL7056057 0.79 CYP2C19 (0.36) LMNACYP2C19HIF1A
SCHEMBL8720205 0.79 CYP2C19 (0.36) LMNACYP2C19HIF1A
SCHEMBL9171058 0.78 LMNA (0.53) 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-1133466-B1 A PROCESS FOR THE PREPARATION OF N,N'-BIS 2, 3-DIHYDROXYPROPYL] -5-[(HYDROXYACETYL) METHYLAMINO]-2, 4,6-TRIIODO-1, 3-BENZENEDI CARBOXAMIDE BRACCO INT BV (NL) 2003-08-20 EP disclosed