SCHEMBL9526337

SCHEMBL9526337

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAP2K1 Q02750 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP2K2 P36507 2/20 0.30
PRKCZ Q05513 1/20 0.30
IARS2 Q9NSE4 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
SCHEMBL9843156 0.93 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9761063 0.86 LMNA (0.46) LMNACYP2C19HIF1AEGFRSRC
Cadaverine Tartrate SCHEMBL9843345 0.85 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9843377 0.83 LMNA (0.55) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9527194 0.82 LMNA (0.66) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14777479 0.80 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL9526167 0.80 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL6235331 0.79 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3382609 0.79 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL2531522 0.79 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC

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
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 claimed