SCHEMBL8377994

SCHEMBL8377994

CC(=O)OCC(CNC(=O)c1c(I)c(NC(N)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ABCB1 P08183 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
AR P10275 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
SCHEMBL8374414 0.93 LMNA (0.34) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8375513 0.91 LMNA (0.41) LMNACYP2C19HIF1AABCB1
SCHEMBL8905997 0.91 LMNA (0.38) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8379840 0.90 LMNA (0.39) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL17124727 0.90 LMNA (0.41) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8741511 0.89 LMNA (0.39) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL28880451 0.88 LMNA (0.43) LMNACYP2C19HIF1AABCB1
SCHEMBL8377049 0.87 LMNA (0.36) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL7056140 0.87 LMNA (0.46) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL12871782 0.87 LMNA (0.41) LMNACYP2C19HIF1AABCB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed