SCHEMBL11023903

SCHEMBL11023903

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
TET2 Q6N021 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XDH P47989 2/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL11023131 0.80 APEX1 (0.47) KDM4ETSHRKMT2AALDH1A1MAPT
SCHEMBL11020558 0.79 LMNA (0.46) KDM4EGAATET2GLAPKM
SCHEMBL11698511 0.77 APEX1 (0.45) KDM4EKMT2AMAPTCA1CA2
SCHEMBL11694667 0.76 APEX1 (0.43) KDM4ETSHRKMT2AALDH1A1MAPT
SCHEMBL9180929 0.75 LMNA (0.35) LMNA
SCHEMBL11695216 0.75 LMNA (0.32) KDM4EMAPTLMNAAPEX1
SCHEMBL11170960 0.74 HPGD (0.43) KDM4EGAAGLARECQLHSD17B10
SCHEMBL11381319 0.73 ALDH1A1 (0.42) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL12640416 0.73 MAOB (0.41) KDM4ETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11169905 0.72 ALDH1A1 (0.37) KDM4EHSD17B10TSHRMEN1KMT2A

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-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