SCHEMBL11546210

SCHEMBL11546210

Nc1c(I)c(C(=O)O)c(I)c(C(=O)NC(CO)(CO)CO)c1I

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11521489 0.84 KMT2A (0.37)
SCHEMBL7590137 0.83 KDM4E (0.30) KDM4EGLAL3MBTL1
SCHEMBL11545272 0.81 LMNA (0.31)
SCHEMBL11545664 0.79 LMNA (0.52)
SCHEMBL11525151 0.79 CNR2 (0.30)
SCHEMBL377437 0.76 TPMT (0.33) KDM4E
SCHEMBL8911310 0.75 ALDH1A1 (0.38) KDM4EL3MBTL1
SCHEMBL7592030 0.75
SCHEMBL11547122 0.74 LMNA (0.31)
Hydrochloric Acid SCHEMBL28391599 0.74 KDM4E (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138589-A CHEMICAL INTERMEDIATES FOR COMPOUNDS USED AS X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1979-02-06 US disclosed
US-4069250-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-01-17 US disclosed
US-4066743-A TRIIODOBENZOIC ACID DERIVATIVES MALLINCKRODT, INC. (US) 1978-01-03 US disclosed