SCHEMBL9842902

SCHEMBL9842902

CNc1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I.CNc1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I.O=C(O)C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9843007 0.84 LMNA (0.37) LMNA
Malonic Acid SCHEMBL9526167 0.82 LMNA (0.48) LMNASMN1; SMN2CYP2C19HIF1A
SCHEMBL9009065 0.79 LMNA (0.50) LMNASMN1; SMN2CYP2C19HIF1A
SCHEMBL9843156 0.77 LMNA (0.56) LMNASMN1; SMN2CYP2C19HIF1A
SCHEMBL9526337 0.77 LMNA (0.51) LMNASMN1; SMN2CYP2C19HIF1A
SCHEMBL9009198 0.76 LMNA (0.49) LMNASMN1; SMN2
SCHEMBL29962850 0.75 LMNA (0.49) LMNASMN1; SMN2CYP2C19HIF1A
Malonic Acid SCHEMBL11132631 0.75 LMNA (0.40) LMNASMN1; SMN2
Malonic Acid SCHEMBL11130343 0.74 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL9284452 0.73 LMNA (0.38) LMNACYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004835-A Substituted dicarboxylic acid-bis(3,5-dicarbamoyl-2,4,6-triiodoanilides), process for their production as well as X-ray contrast media containing them SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-02 US claimed