SCHEMBL7095050

SCHEMBL7095050

CN(C(=O)CO)c1c(I)c(C(N)=O)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 0.37
TYMP P19971 1/20 0.32

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
SCHEMBL30355253 1.00 CYP2C19 (0.39) CYP2C19HIF1ALMNATYMP
SCHEMBL9735219 0.89 LMNA (0.32) CYP2C19HIF1ALMNA
SCHEMBL9736246 0.86 CYP2C19 (0.45) CYP2C19HIF1ALMNA
SCHEMBL8380649 0.84 CYP2C19 (0.41) CYP2C19HIF1ALMNA
SCHEMBL28198605 0.84 CYP2C19 (0.35) CYP2C19HIF1ALMNA
SCHEMBL27965331 0.83 CYP2C19 (0.37) CYP2C19HIF1ALMNA
SCHEMBL9190900 0.83 LMNA (0.33) CYP2C19HIF1ALMNA
SCHEMBL29234146 0.82 LMNA (0.30) CYP2C19HIF1ALMNA
SCHEMBL1856683 0.81 CYP2C19 (0.60) CYP2C19HIF1ALMNA
SCHEMBL9287744 0.81 CYP2C19 (0.42) 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 7 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
EP-0675738-A1 AQUEOUS INJECTABLE FORMULATIONS USEFUL FOR RADIO-DIAGNOSIS COMPRISING IODINATED AROMATIC COMPOUNDS USED AS X-RAY CONTRAST MEDIA DIBRA S.p.A. (IT) 1995-10-11 EP disclosed
WO-1994014478-A1 AQUEOUS INJECTABLE FORMULATIONS USEFUL FOR RADIO-DIAGNOSIS COMPRISING IODINATED AROMATIC COMPOUNDS USED AS X-RAY CONTRAST MEDIA BRACCO S.P.A. (IT) 1994-07-07 WO disclosed
EP-0365541-B1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO S.p.A. (IT) 1992-08-12 EP disclosed
US-5066823-A Rearrangement reaction, contrast agent for radiology BRACCO INDUSTRIA CHEMICA S.P.A. (IT) 1991-11-19 US disclosed
EP-0365541-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES. BRACCO IND CHIMICA SPA (IT) 1990-05-02 EP disclosed
WO-1988009328-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1988-12-01 WO disclosed