SCHEMBL8588233

SCHEMBL8588233

O=CN(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59
LMNA P02545 2/20 0.56
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30
PRKCZ Q05513 1/20 0.30
IARS2 Q9NSE4 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
SCHEMBL1742986 0.98 LMNA (0.59) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL1744503 0.97 LMNA (0.55) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL1744048 0.94 LMNA (0.55) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL8587003 0.94 CYP2C19 (0.65) CYP2C19HIF1ALMNAEGFRSRC
Ioforminol SCHEMBL374830 0.92 LMNA (0.65) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL16883242 0.91 LMNA (0.49) CYP2C19HIF1ALMNA
SCHEMBL19261519 0.91 LMNA (0.54) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL2763827 0.90 LMNA (0.60) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL19261520 0.90 LMNA (0.51) CYP2C19HIF1ALMNA
SCHEMBL8583797 0.89 CYP2C19 (0.60) CYP2C19HIF1ALMNAEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855997-A4 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA INC (US) 1998-10-07 EP claimed
EP-0855997-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA, INC. (US) 1998-08-05 EP claimed
WO-1997000240-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA FOUNDATION (US) 1997-01-03 WO claimed