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SCHEMBL8378485

SCHEMBL8378485

O=C(NCC(O)CO)c1c(I)c(NC(=O)N(CCO)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ MAP2K1 Q02750 4/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAP2K2 P36507 1/20 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
SCHEMBL8380586 0.96 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL8544442 0.87 CYP2C19 (0.66) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7201113 0.84 LMNA (0.61) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL24711 0.84 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9012617 0.84 LMNA (0.79) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8438095 0.84 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL9745016 0.84 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8383357 0.83 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL13086811 0.83 LMNA (0.61) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9735119 0.82 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
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 — — EP disclosed