SCHEMBL7593885

SCHEMBL7593885

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
MAP2K1 Q02750 4/20 0.31
MAP2K2 P36507 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
SCHEMBL13220206 0.90 LMNA (0.50) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7594751 0.88 LMNA (0.46) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL6226822 0.88 LMNA (0.46) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7587928 0.87 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7592788 0.86 LMNA (0.44) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL3047183 0.86 LMNA (0.47) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7595621 0.86 LMNA (0.44) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7594162 0.85 LMNA (0.50) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7594734 0.85 LMNA (0.44) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7592858 0.84 LMNA (0.51) LMNACYP2C19HIF1ASMN1; SMN2EGFR

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
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
WO-2000037115-A1 WATER-SOLUBLE CONTRAST MEDIA FOR X-RAY IMAGING NYCOMED IMAGING AS (NO) 2000-06-29 WO disclosed