SCHEMBL8978121

SCHEMBL8978121

O=C(NCC(O)CO)c1c(I)cc(I)c(O)c1I

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAP2K1 Q02750 7/20 0.37
MAP2K2 P36507 2/20 0.37
PRKCZ Q05513 1/20 0.37
IARS2 Q9NSE4 1/20 0.37
CA2 P00918 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CNR2 P34972 1/20 0.33
ROCK2 O75116 1/20 0.32
BACE1 P56817 1/20 0.31
TYMP P19971 1/20 0.31

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
SCHEMBL1359643 0.91 LMNA (0.55) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL2011397 0.84 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL16875799 0.84 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL622562 0.83 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3426791 0.83 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL21211562 0.82 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL30980833 0.82 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7047230 0.81 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14790185 0.79 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL11005886 0.78 CYP2C19 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970381-B Process for iodination of aromatic compounds BRACCO IMAGING SPA 2013-10-23 CN disclosed
EP-0707572-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.p.A. (IT) 1996-04-24 EP disclosed