SCHEMBL6744685

SCHEMBL6744685

O=C(c1ccc(I)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.59
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CA12 O43570 2/20 0.54
GAA P10253 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
POLB P06746 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
PTGS2 P35354 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC6 Q9UBN7 1/20 0.48
TOP1 P11387 2/20 0.47
TERT O14746 1/20 0.47
DBH P09172 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL1758192 0.87 CA12 (0.68) SIRT1CA1CA2MAPTKDM4E
SCHEMBL13082530 0.83 CA1 (0.54) CA1CA2MAPTKDM4ECA12
SCHEMBL5476111 0.83 MAPT (0.68) SIRT1CA1CA2MAPTKDM4E
SCHEMBL8903151 0.82 HSD17B1 (0.54) SIRT1CA1CA2MAPTTPMT
SCHEMBL1244094 0.82 TPMT (0.65) CA1CA2MAPTTPMTHTT
SCHEMBL9389844 0.82 TPMT (0.65) CA1CA2MAPTTPMTHTT
SCHEMBL3841301 0.82 TPMT (0.65) CA1CA2MAPTTPMTHTT
SCHEMBL31257839 0.81 L3MBTL1 (0.64) SIRT1CA1CA2MAPTKDM4E
SCHEMBL142204 0.81 L3MBTL1 (0.64) SIRT1CA1CA2MAPTKDM4E
SCHEMBL6746043 0.79 MAPK1 (0.63) SIRT1CA1CA2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759367-B2 COMPRISING THERMOSENSITIVE ELEMENT AND SUPPORT, THE THERMOSENSITIVE ELEMENT CONTAINING A SUBSTANTIALLY LIGHT-INSENSITIVE ORGANIC SILVER SALT, A 3,4-DIHYDROXYBENZENE COMPOUND, A BINDER AGFA-GEVAERT (BE) 2004-07-06 US claimed
US-20030054958-A1 Thermographic recording material with improved print archivability without loss in printability AGFA-GEVAERT (BE) 2003-03-20 US claimed
EP-1245404-A1 Thermographic recording material providing prints with good image density and tone having improved archivability Agfa-Gevaert (BE) 2002-10-02 EP claimed
US-6759367-B2 COMPRISING THERMOSENSITIVE ELEMENT AND SUPPORT, THE THERMOSENSITIVE ELEMENT CONTAINING A SUBSTANTIALLY LIGHT-INSENSITIVE ORGANIC SILVER SALT, A 3,4-DIHYDROXYBENZENE COMPOUND, A BINDER AGFA-GEVAERT (BE) 2004-07-06 US disclosed
US-6693062-B2 LIGHT INSENSITIVE ORGANIC SILVER SALTS, REDUCING AGENTS AND 1,2-DIHYDROXYBENZENE DERIVATIVE AGFA-GEVAERT (BE) 2004-02-17 US disclosed
US-20030054958-A1 Thermographic recording material with improved print archivability without loss in printability AGFA-GEVAERT (BE) 2003-03-20 US disclosed
EP-1245404-A1 Thermographic recording material providing prints with good image density and tone having improved archivability Agfa-Gevaert (BE) 2002-10-02 EP disclosed