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SCHEMBL9761063

SCHEMBL9761063

Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NC(CO)CO)c1I.Nc1c(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 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ MAP2K1 Q02750 3/20 0.31
▸ MAP2K2 P36507 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ IARS2 Q9NSE4 1/20 0.31
▸ CA2 P00918 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
SCHEMBL2531522 0.94 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3382609 0.94 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9843100 0.92 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9526337 0.86 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL619959 0.85 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL32668972 0.83 LMNA (0.53) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8063055 0.83 LMNA (0.53) LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL11131957 0.83 LMNA (0.53) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9513442 0.83 LMNA (0.55) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14777479 0.82 LMNA (0.52) 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-5073362-A DICARBOXYLIC ACID-BIS(3,5-DICARBAMOYL-2,4,6-TRIIODOANILIDES) AND X-RAY CONTRAST MEDIA CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-17 — — US disclosed