SCHEMBL8417993

SCHEMBL8417993

O=C(NCC(O)CO)c1cc(CO)cc(NNc2c(I)c(CO)c(I)c(C(=O)NCC(O)CO)c2I)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAP2K1 Q02750 4/20 0.32
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30
CA2 P00918 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
SCHEMBL8417990 0.78 LMNA (0.39) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8564794 0.77 LMNA (0.38) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7594162 0.74 LMNA (0.50) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7590729 0.73 LMNA (0.52) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7592858 0.73 LMNA (0.51) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL6226822 0.72 LMNA (0.46) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7594751 0.72 LMNA (0.46) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL7587928 0.71 LMNA (0.56) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL7595621 0.70 LMNA (0.44) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7592788 0.70 LMNA (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed