SCHEMBL8564794

SCHEMBL8564794

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAP2K1 Q02750 4/20 0.31
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
EGFR P00533 1/20 0.30
SRC P12931 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
SCHEMBL8564791 0.80 LMNA (0.39) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8417993 0.77 LMNA (0.38) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7595391 0.74 LMNA (0.51) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7596337 0.71 LMNA (0.48) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7590944 0.70 KDM4E (0.43) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8562051 0.69 LMNA (0.46) LMNACYP2C19HIF1A
SCHEMBL20329603 0.68 ALDH1A1 (0.48) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8562054 0.68 LMNA (0.47) LMNACYP2C19HIF1AMAP2K1
SCHEMBL7591779 0.67 GAA (0.43) LMNAKDM4EALDH1A1HPGD
SCHEMBL26054346 0.66 ALDH1A1 (0.46) LMNACYP2C19HIF1AKDM4EALDH1A1

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