SCHEMBL6586091

SCHEMBL6586091

O=C(Nc1cccc(-c2ccccc2)c1)c1ccoc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.78
KCNK9 Q9NPC2 2/20 0.78
MAPK14 Q16539 3/20 0.65
ADORA3 P0DMS8 1/20 0.57
MGLL Q99685 1/20 0.57
ALOX5 P09917 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
RAB9A P51151 1/20 0.53
PARP1 P09874 1/20 0.52
CNR1 P21554 1/20 0.51
PTPN1 P18031 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
HIF1A Q16665 1/20 0.50
F2R P25116 1/20 0.50

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
SCHEMBL10589415 0.86 KCNK3 (0.79) KCNK3KCNK9MAPK14MEN1POLB
SCHEMBL31401957 0.85 KCNK3 (0.83) KCNK3KCNK9MAPK14MEN1KMT2A
Hydrochloric Acid SCHEMBL31228954 0.84 KCNK3 (0.77) KCNK3KCNK9MAPK14MEN1POLB
SCHEMBL18906023 0.84 KCNK3 (0.81) KCNK3KCNK9MAPK14MEN1POLB
SCHEMBL20227586 0.82 KCNK3 (0.79) KCNK3KCNK9ADORA3MGLLALOX5
SCHEMBL18152289 0.81 MEN1 (0.73) KCNK3KCNK9ADORA3MGLLALOX5
SCHEMBL14281776 0.81 KCNK3 (0.71) KCNK3KCNK9ALOX5MEN1POLB
SCHEMBL31401968 0.80 KCNK3 (0.70) KCNK3KCNK9MAPK14MEN1POLB
SCHEMBL8457167 0.78 ADORA3 (0.71) KCNK3KCNK9ADORA3MGLLALOX5
SCHEMBL18906013 0.78 KCNK3 (0.68) KCNK3KCNK9MAPK14MEN1POLB

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