SCHEMBL11020558

SCHEMBL11020558

COC(=O)CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NCC(=O)OC)c1I

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
TET2 Q6N021 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
NLRP3 Q96P20 1/20 0.35
MAPK1 P28482 1/20 0.33

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
SCHEMBL11347525 0.84 LMNA (0.51) LMNAKDM4ESMN1; SMN2KMT2AHSD17B10
SCHEMBL11014500 0.84 LMNA (0.46) LMNAKDM4EGAAGLASMN1; SMN2
SCHEMBL9816334 0.81 LMNA (0.53) LMNAKDM4ESMN1; SMN2KMT2AHSD17B10
SCHEMBL11700573 0.80 LMNA (0.58) LMNASMN1; SMN2TSHRKMT2AHSD17B10
SCHEMBL11694200 0.79 LMNA (0.47) LMNAKDM4ESMN1; SMN2KMT2AHSD17B10
SCHEMBL11690984 0.79 LMNA (0.47) LMNAKDM4ESMN1; SMN2KMT2AHSD17B10
SCHEMBL11023903 0.79 KDM4E (0.42) LMNAKDM4EGAAGLAPKM
SCHEMBL9563844 0.78 LMNA (0.58) LMNAKDM4ESMN1; SMN2RECQL
SCHEMBL11695398 0.78 LMNA (0.56) LMNASMN1; SMN2TSHRHSD17B10MAPK1
Ioglicic Acid SCHEMBL29699760 0.77 LMNA (0.55) LMNASMN1; SMN2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129932-A1 N,N,N',N'-tetra (hydroxyethyl)-5-acetylamino-2,4,6-triiodoisophtaloyldiglycinamide, a process for the preparation of said compound and an X-ray contrast agent containing said compound DAGRA N.V. (NL) 1985-01-02 EP disclosed
US-4307072-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1981-12-22 US disclosed