Iodohippurate

Iodohippurate

SCHEMBL9860635

O=C(O)CNC(=O)c1ccccc1I.[Na]

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KEAP1 Q14145 1/20 0.53
EGLN1 Q9GZT9 3/20 0.47
KDM4C Q9H3R0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RAB9A P51151 1/20 0.42
ABAT P80404 1/20 0.42
APEX1 P27695 1/20 0.42
PTPRC P08575 2/20 0.42
CTSL P07711 1/20 0.42
PTPN13 Q12923 1/20 0.42

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
Iodohippurate SCHEMBL589803 0.98 KMT2A (0.58) KMT2AMEN1TDP1KEAP1EGLN1
Iodohippurate SCHEMBL29959499 0.98 KMT2A (0.58) KMT2AMEN1TDP1KEAP1EGLN1
Iodohippurate SCHEMBL2142713 0.96 KMT2A (0.56) KMT2AMEN1TDP1KEAP1EGLN1
Iodohippurate SCHEMBL5915006 0.96 KMT2A (0.56) KMT2AMEN1TDP1KEAP1EGLN1
SCHEMBL31448014 0.85 KEAP1 (0.62) KMT2AKEAP1EGLN1KDM4CKDM4E
SCHEMBL5532912 0.84 KEAP1 (0.51) KMT2AMEN1TDP1KEAP1EGLN1
SCHEMBL11325406 0.82 KMT2A (0.51) KMT2AMEN1TDP1KEAP1SIGMAR1
SCHEMBL8814831 0.82 KMT2A (0.51) KMT2AMEN1TDP1KEAP1SIGMAR1
Iodohippurate SCHEMBL5915003 0.81 KMT2A (0.50) KMT2AMEN1TDP1KEAP1SIGMAR1
Iodohippurate SCHEMBL1652159 0.81 KMT2A (0.50) KMT2AMEN1TDP1KEAP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1689120-B Multiple hazard prevention article and method of making same MERIDIAN RES & DEV 2012-05-09 CN claimed
CN-1689120-A Multiple hazard prevention article and method of making same MERIDIAN RES & DEV (US) 2005-10-26 CN claimed
CN-1689120-B Multiple hazard prevention article and method of making same MERIDIAN RES & DEV 2012-05-09 CN disclosed
CN-101010107-A Luminescent metal complexes for monitoring renal function MALLINCKRODT INC (US) 2007-08-01 CN disclosed
CN-1689120-A Multiple hazard prevention article and method of making same MERIDIAN RES & DEV (US) 2005-10-26 CN disclosed
US-5021220-A Haluaromatic compound, water-soluble acid, copper salt acid-stable reducing agent MALLINCKRODT, INC. (US) 1991-06-04 US disclosed
US-4942231-A CATALYTIC HALOGENATION IN THE PRESENCE OF A REDUCING AGENT AND ACID MEDIUM MALLINCKRODT, INC. (US) 1990-07-17 US disclosed
EP-0165630-B1 METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND MALLINCKRODT, INC.(a Missouri corporation) (US) 1989-10-18 EP disclosed
US-4584186-A RADIODIAGNOSIS OF RENAL FUNCTION Mallinckrodt, Diagnostica (Holland) B.V. (NL) 1986-04-22 US disclosed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP disclosed
EP-0113135-A2 Radiolabelled metallocene derivatives Mallinckrodt Diagnostica (Holland) B.V. (NL) 1984-07-11 EP disclosed
US-4307072-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1981-12-22 US disclosed