SCHEMBL7587993

SCHEMBL7587993

CC(=O)OCc1c(I)c(N)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8416191 0.91 LMNA (0.40) ABCB1LMNACYP2C19HIF1A
SCHEMBL9515975 0.91 ABCB1 (0.37) ABCB1LMNACYP2C19HIF1ATDP1
SCHEMBL1359798 0.91 LMNA (0.38) ABCB1LMNACYP2C19HIF1ATDP1
SCHEMBL8416672 0.88 LMNA (0.40) LMNACYP2C19HIF1A
SCHEMBL28880448 0.87 LMNA (0.36) ABCB1LMNACYP2C19HIF1ATDP1
SCHEMBL8063052 0.86 LMNA (0.36) ABCB1LMNACYP2C19HIF1ATDP1
Hydrochloric Acid SCHEMBL8857263 0.85 LMNA (0.35) ABCB1LMNACYP2C19HIF1ATDP1
SCHEMBL9009046 0.85 LMNA (0.35) ABCB1LMNACYP2C19HIF1ATDP1
SCHEMBL8415077 0.85 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL7600638 0.84 ABCB1 (0.33) ABCB1LMNACYP2C19HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5958376-A Iodinated X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
US-5958375-A Urea-linked, iodinated bis phenyl compounds for X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 EP disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed