SCHEMBL8564791

SCHEMBL8564791

Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(O)CO)c1I.Nc1cc(C(=O)NCC(O)CO)cc(C(O)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAP2K1 Q02750 7/20 0.32
MAP2K2 P36507 2/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
CA2 P00918 1/20 0.31
LOX P28300 2/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
MAPK14 Q16539 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 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
SCHEMBL7596337 0.87 LMNA (0.48) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL7590944 0.84 KDM4E (0.43) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8564794 0.80 LMNA (0.38) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8380413 0.78 LMNA (0.49) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8417990 0.77 LMNA (0.39) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8562051 0.77 LMNA (0.46) LMNACYP2C19HIF1A
SCHEMBL9513442 0.76 LMNA (0.55) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL619959 0.76 LMNA (0.58) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL8380052 0.75 KDM4E (0.44) LMNACYP2C19HIF1AKDM4EALDH1A1
SCHEMBL905517 0.75 KDM4E (0.48) 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