SCHEMBL9009053

SCHEMBL9009053

NCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MAP2K1 Q02750 7/20 0.34
MAP2K2 P36507 2/20 0.34
PRKCZ Q05513 1/20 0.34
IARS2 Q9NSE4 1/20 0.34
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
BACE1 P56817 1/20 0.31
TYMP P19971 1/20 0.31
CNR2 P34972 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
SCHEMBL5030922 0.90 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3718498 0.89 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9352754 0.89 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7995861 0.88 LMNA (0.55) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL12871731 0.87 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL5028753 0.87 LMNA (0.57) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL13220211 0.87 LMNA (0.57) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL10624509 0.87 LMNA (0.57) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8375505 0.87 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8378687 0.87 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646021-B1 PURIFICATION OF CRUDE IOVERSOL USING CONTINUOUS DEIONIZATION MALLINCKRODT MEDICAL INC (US) 1996-11-27 EP claimed
EP-0083964-B1 COMPOUNDS SUITABLE FOR X-RAY VISUALISATION METHODS Mallinckrodt, Inc. (a Delaware corporation) (US) 1986-04-16 EP claimed
EP-0571593-B1 NEW NON IONIC IODIZED AGENTS FOR X-RAY CONTRASTING, METHOD FOR PREPARING THEM AND GALENICAL COMPOSITIONS CONTAINING THEM INVEST JUSTESA IMAGEN S A CENT (ES) 1996-10-30 EP disclosed
US-5403576-A Iodo-phenylated chelates for magnetic resonance imaging MALLINCKRODT MEDICAL, INC. (US) 1995-04-04 US disclosed
EP-0625263-A1 CONTRAST AGENTS USEFUL FOR BOTH X-RAY AND MRI MALLINCKRODT MEDICAL, INC. (US) 1994-11-23 EP disclosed
US-5324503-A Iodo-phenylated chelates for x-ray contrast MALLINCKRODT MEDICAL, INC. (US) 1994-06-28 US disclosed
WO-1993016375-A1 CONTRAST AGENTS USEFUL FOR BOTH X-RAY AND MRI MALLINCKRODT MEDICAL, INC. (US) 1993-08-19 WO disclosed