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SCHEMBL9843237

SCHEMBL9843237

CNc1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I.CNc1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I.O=C(O)C(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TYMP P19971 1/20 0.32

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
SCHEMBL9527194 0.91 LMNA (0.66) LMNACYP2C19HIF1ASMN1; SMN2
Malonic Acid SCHEMBL11497518 0.91 LMNA (0.53) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL9843094 0.84 LMNA (0.46) LMNACYP2C19HIF1ATYMP
SCHEMBL9787640 0.83 LMNA (0.55) LMNACYP2C19HIF1ATYMP
Malonic Acid SCHEMBL9530109 0.83 LMNA (0.67) LMNACYP2C19HIF1ASMN1; SMN2
Malonic Acid SCHEMBL9526080 0.82 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL619808 0.80 LMNA (0.60) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL11194434 0.79 LMNA (0.43) LMNACYP2C19HIF1A
SCHEMBL9009061 0.78 LMNA (0.64) LMNACYP2C19HIF1ASMN1; SMN2TYMP
Iobitridol SCHEMBL23057 0.78 LMNA (0.58) LMNACYP2C19HIF1ASMN1; SMN2TYMP

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 disclosed