SCHEMBL9526102

SCHEMBL9526102

CNc1c(I)c(C(=O)Cl)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ABCB1 P08183 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
AR P10275 1/20 0.31
GAA P10253 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
SCHEMBL9009328 0.90 LMNA (0.38) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL9009046 0.87 LMNA (0.35) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL9009307 0.87 LMNA (0.43) LMNACYP2C19HIF1AABCB1
SCHEMBL12871722 0.87 LMNA (0.39) LMNACYP2C19HIF1AABCB1
SCHEMBL9009212 0.85 LMNA (0.50) LMNACYP2C19HIF1AABCB1
SCHEMBL8905658 0.84 LMNA (0.42) LMNACYP2C19HIF1AABCB1TDP1
Malonic Acid SCHEMBL9760401 0.84 LMNA (0.33) LMNACYP2C19HIF1AABCB1
SCHEMBL8379840 0.83 LMNA (0.39) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL17124727 0.83 LMNA (0.41) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8741511 0.82 LMNA (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308364-B1 Dicarboxylic acid-bis(3,5-dicarbamoyl-2-4-6-triiodanilides), process for their preparation and X-ray contrast agents containing them SCHERING AG (DE) 1993-11-10 EP disclosed
EP-0308364-A2 Dicarboxylic acid-bis(3,5-dicarbamoyl-2-4-6-triiodanilides), process for their preparation and X-ray contrast agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-22 EP disclosed