SCHEMBL7594702

SCHEMBL7594702

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
CA2 P00918 1/20 0.36
MAP2K1 Q02750 7/20 0.34
MAP2K2 P36507 2/20 0.34
PRKCZ Q05513 1/20 0.34
IARS2 Q9NSE4 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
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
SCHEMBL619959 0.90 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9513442 0.90 LMNA (0.55) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL12856553 0.88 LMNA (0.46) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8417990 0.85 LMNA (0.39) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL28469692 0.85 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9191548 0.85 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL15837493 0.84 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7596538 0.84 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL32668972 0.84 LMNA (0.53) LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL11131957 0.84 LMNA (0.53) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
EP-0828705-B1 IODINATION PROCESS NYCOMED IMAGING AS (NO) 2000-08-23 EP disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5958376-A Iodinated X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
US-5958375-A Urea-linked, iodinated bis phenyl compounds for X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 EP disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0828705-A1 IODINATION PROCESS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
CN-1164225-A Iodinated X-ray-contrast media NYCOMED IMAGING AS (NO) 1997-11-05 CN disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996037461-A1 IODINATION PROCESS NYCOMED IMAGING A.S (NO) 1996-11-28 WO disclosed
US-5575905-A Iodination process NYCOMED IMAGING AS (NO) 1996-11-19 US disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed