SCHEMBL9317161

SCHEMBL9317161

CNC(=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAP2K1 Q02750 3/20 0.30
MAP2K2 P36507 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
Ioversol SCHEMBL24711 0.94 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL9745016 0.94 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL7794872 0.92 LMNA (0.65) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736495 0.92 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9196493 0.91 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7795950 0.90 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9316965 0.90 CYP2C19 (0.72) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL22661224 0.89 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9234595 0.89 LMNA (0.61) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9317727 0.88 LMNA (0.60) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558484-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-09-08 EP claimed
WO-1992009562-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1992-06-11 WO claimed
US-5019371-A Novel x-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1991-05-28 US claimed
US-5356613-A X-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1994-10-18 US disclosed
US-5356613-A X-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1994-10-18 US disclosed
EP-0558484-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-09-08 EP disclosed
EP-0558484-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-09-08 EP disclosed
WO-1992009562-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1992-06-11 WO disclosed
WO-1992009562-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1992-06-11 WO disclosed
US-5019371-A Novel x-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1991-05-28 US disclosed
US-5019371-A Novel x-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1991-05-28 US disclosed