SCHEMBL6572561

SCHEMBL6572561

Cc1ccc(C(=O)OC(=O)c2cccc(-c3ccccc3)c2)cc1I

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMO O15229 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PLAU P00749 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL29706640 0.83 KMO (0.64) MAPTTDP1KMOHDAC8GABRG2
SCHEMBL7654507 0.83 KMO (0.64) MAPTTDP1KMOHDAC8GABRG2
SCHEMBL13368984 0.77 MAPT (0.53) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL29287804 0.77 MAPT (0.63) MAPTTDP1KMOHDAC8GABRG2
Biphenyl SCHEMBL7934686 0.77 KMO (0.47) MAPTTDP1KMOHDAC8
SCHEMBL14655856 0.76 MAPT (0.51) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL6113436 0.75 CES2 (0.65) MAPTMEN1ALDH1A1KMT2ACES2
SCHEMBL21173955 0.74 KMO (0.68) MAPTTDP1KMOCA12CA1
SCHEMBL27687572 0.74 KMO (0.53) MAPTTDP1KMOHDAC8GABRG2
SCHEMBL1232173 0.73 TDP1 (0.53) MAPTTDP1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435936-A1 5'-CARBAMOYL-1,1-BIPHENYL-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1435942-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032972-A1 5’-CARBAMOYL-1,1-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003032980-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed