SCHEMBL9843377

SCHEMBL9843377

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP2K1 Q02750 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
ROCK2 O75116 1/20 0.31
POLB P06746 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
Cadaverine Tartrate SCHEMBL9843345 0.87 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9843156 0.87 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9526337 0.83 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9527194 0.78 LMNA (0.66) LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL9527869 0.77 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL9526167 0.77 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL9530109 0.76 LMNA (0.67) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL12885813 0.75 LMNA (0.80) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL619944 0.75 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL12657374 0.74 LMNA (0.56) 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
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