SCHEMBL8378374

SCHEMBL8378374

CC(=O)OCC(CNC(=O)c1c(I)c(N)c(I)c(NC(=O)Nc2c(I)c(N)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2I)c1I)OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
ABCB1 P08183 1/20 0.33
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
SCHEMBL4927394 0.93 LMNA (0.38) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL8377049 0.93 LMNA (0.36) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL8374414 0.92 LMNA (0.34) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL8379840 0.92 LMNA (0.39) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL9515975 0.90 ABCB1 (0.37) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL1359798 0.90 LMNA (0.38) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL8764396 0.87 ABCB1 (0.32) LMNAABCB1CYP2C19HIF1A
SCHEMBL28880448 0.86 LMNA (0.36) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL8380655 0.86 LMNA (0.42) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL3046706 0.85 LMNA (0.41) LMNAABCB1CYP2C19HIF1ATDP1

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
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 EP disclosed
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed