SCHEMBL6586086

SCHEMBL6586086

NC(=O)c1ccoc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.50
DHODH Q02127 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
KMO O15229 1/20 0.43
BCAT2 O15382 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
PARP1 P09874 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ADORA2A P29274 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CHUK O15111 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
BRD4 O60885 1/20 0.40
UCHL5 Q9Y5K5 1/20 0.39
CDC7 O00311 1/20 0.39

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
SCHEMBL5177213 0.88 ADORA2A (0.50) IKBKBBCAT2PARP1ADORA2ABRD4
SCHEMBL27605296 0.87 ACMSD (0.53) DHODHKMOACMSDIP6K1IP6K3
SCHEMBL27624326 0.74 ACMSD (0.47) DHODHACMSDUCHL5
SCHEMBL27355083 0.74 ADORA2A (0.42) IKBKBBCAT2MKNK1MKNK2ADORA2A
SCHEMBL14901086 0.73 ALDH1A1 (0.46) ACMSDADORA2AUCHL5
Hydrochloric Acid SCHEMBL7201470 0.73 MCL1 (0.53) UCHL5
SCHEMBL28353842 0.73 BCAT2 (0.75) IKBKBDHODHSIRT2SIRT1KMO
Water SCHEMBL27300806 0.73 ADORA2A (0.41) IKBKBBCAT2MKNK1MKNK2ADORA2A
SCHEMBL27688880 0.72 BCAT2 (0.58) IKBKBDHODHSIRT2SIRT1KMO
SCHEMBL8315867 0.71 ALDH1A1 (0.43) IKBKBDHODHPARP1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448513-A1 BIPHENYL-DERIVATIVES AS P38-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-25 EP disclosed
EP-1435934-A1 5'-ACYLAMINO-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1436272-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033457-A1 BIPHENYL-DERIVATIVES AS P38-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003033483-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003032971-A1 5’-ACYLAMINO-1,1’-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed