SCHEMBL7094830

SCHEMBL7094830

CNC(=O)COc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MAP2K1 Q02750 7/20 0.34
MAP2K2 P36507 2/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
TYMP P19971 1/20 0.31
GABRA5 P31644 1/20 0.31
ALDH1A1 P00352 2/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL14793009 0.96 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9735193 0.94 LMNA (0.46) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8858996 0.86 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9735042 0.86 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL24217645 0.86 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9293485 0.82 LMNA (0.44) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736602 0.80 TDP2 (0.33) LMNACYP2C19HIF1ABCHEACHE
SCHEMBL14790182 0.79 LMNA (0.46) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736416 0.79 LMNA (0.41) LMNACYP2C19HIF1A
SCHEMBL9581262 0.77 LMNA (0.57) LMNACYP2C19HIF1AEGFRSRC

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
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
US-6420603-B1 ESTERIFICATION OF 5-HYDROXYISOPHTHALIC ACID, AMIDATION WITH ISOSERINOL, IODINATION AND ALKYLATION BRACCO INTERNATIONAL B.V. (NL) 2002-07-16 US disclosed