SCHEMBL9317092

SCHEMBL9317092

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ABCB1 P08183 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7056140 0.96 LMNA (0.46) LMNACYP2C19HIF1AABCB1ALDH1A1
SCHEMBL28880451 0.92 LMNA (0.43) LMNACYP2C19HIF1AABCB1ALDH1A1
SCHEMBL9009307 0.91 LMNA (0.43) LMNACYP2C19HIF1AABCB1ALDH1A1
SCHEMBL8380655 0.90 LMNA (0.42) LMNACYP2C19HIF1AABCB1ALDH1A1
SCHEMBL3384375 0.89 LMNA (0.54) LMNACYP2C19HIF1AABCB1ALDH1A1
SCHEMBL8375513 0.88 LMNA (0.41) LMNACYP2C19HIF1AABCB1ALDH1A1
SCHEMBL7590487 0.88 LMNA (0.40) LMNAABCB1ALDH1A1SMN1; SMN2
SCHEMBL12871782 0.87 LMNA (0.41) LMNACYP2C19HIF1AABCB1
SCHEMBL8375493 0.86 LMNA (0.41) LMNACYP2C19HIF1AABCB1ALDH1A1
SCHEMBL9009229 0.85 LMNA (0.51) LMNACYP2C19HIF1AABCB1SMN1; SMN2

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
US-5356613-A X-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1994-10-18 US disclosed
US-5019371-A Novel x-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1991-05-28 US disclosed