SCHEMBL9563100

SCHEMBL9563100

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
MAP2K1 Q02750 5/20 0.32
MAP2K2 P36507 2/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PRKCZ Q05513 1/20 0.30
IARS2 Q9NSE4 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL16585107 0.94 LMNA (0.56) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL8379792 0.86 LMNA (0.51) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL11282985 0.85 LMNA (0.55) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL622239 0.84 LMNA (0.54) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL8377190 0.84 LMNA (0.49) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL8859056 0.83 LMNA (0.53) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL8743127 0.83 LMNA (0.57) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8743319 0.83 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL23039434 0.83 LMNA (0.55) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL5028753 0.82 LMNA (0.57) LMNACYP2C19HIF1AMAP2K1MAP2K2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233249-B1 NON-IONIC POLYOL CONTRAST MEDIA FROM IONIC CONTRAST MEDIA COOK IMAGING CORP (US) 1993-11-24 EP disclosed
US-4954348-A Non-ionic polyol contrast media from ionic contrast media COOK IMAGING CORPORATION (US) 1990-09-04 US disclosed
EP-0233249-A4 NON-IONIC POLYOL CONTRAST MEDIA FROM IONIC CONTRAST MEDIA. COOK MANAGING INC (US) 1988-10-06 EP disclosed
EP-0233249-A1 NON-IONIC POLYOL CONTRAST MEDIA FROM IONIC CONTRAST MEDIA. COOK MANAGING INC (US) 1987-08-26 EP disclosed
WO-1987000757-A1 NON-IONIC POLYOL CONTRAST MEDIA FROM IONIC CONTRAST MEDIA COOK IMAGING, INC. (US) 1987-02-12 WO disclosed