SCHEMBL529975

SCHEMBL529975

COc1ccc(C(N)=O)c(C)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
BCAT2 O15382 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.42
HTT P42858 1/20 0.41
PARP10 Q53GL7 3/20 0.41
PARP15 Q460N3 2/20 0.41
PARP14 Q460N5 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NNMT P40261 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
SCHEMBL31653573 0.88 FABP4 (0.46) FABP3FABP4FABP5MKNK1MKNK2
SCHEMBL529977 0.88 FABP4 (0.46) FABP3FABP4FABP5MKNK1MKNK2
SCHEMBL23361670 0.87 FABP3 (0.51) FABP3FABP4FABP5MKNK1MKNK2
SCHEMBL20552421 0.83 BCAT2 (0.50) FABP4MKNK1MKNK2BCAT2MAPT
SCHEMBL6676513 0.82 SCN9A (0.41) BCAT2BRD4
SCHEMBL5582520 0.82 HK2 (0.48) FABP3FABP4FABP5MKNK1MKNK2
SCHEMBL529871 0.82 BCAT2 (0.48) FABP4MKNK1MKNK2BCAT2MAPT
SCHEMBL9765827 0.81 MAPT (0.49) FABP3FABP4FABP5MKNK1MKNK2
SCHEMBL2362774 0.81 FABP3 (0.58) FABP3FABP4FABP5BCAT2HTT
SCHEMBL5517158 0.81 FABP3 (0.46) FABP3FABP4FABP5MKNK1MKNK2

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP claimed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP claimed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO claimed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed