SCHEMBL4586117

SCHEMBL4586117

O=c1ccc(=O)c2n(O)c1=2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ERCC1 P07992 3/20 0.33
FEN1 P39748 3/20 0.33
ERCC4 Q92889 3/20 0.33
ERCC5 P28715 2/20 0.33
CA12 O43570 1/20 0.33
RNASEH1 O60930 1/20 0.33
CA9 Q16790 1/20 0.33
DAO P14920 1/20 0.31

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
SCHEMBL6546263 0.67
SCHEMBL9361606 0.60
SCHEMBL43657 0.60 KDM4E (0.41) KDM4EERCC1FEN1ERCC4ERCC5
SCHEMBL1959323 0.57 PAX8 (0.32)
SCHEMBL43955 0.57 KDM4E (0.33) KDM4E
SCHEMBL7900407 0.56 KDM4E (0.94) KDM4EERCC1FEN1ERCC4ERCC5
SCHEMBL1025411 0.56 ERCC1 (0.62) KDM4EERCC1FEN1ERCC4CA12
SCHEMBL5516639 0.56 CA12 (0.38) KDM4EERCC1FEN1ERCC4ERCC5
SCHEMBL1704180 0.55 DBH (0.41) KDM4ERNASEH1
SCHEMBL472917 0.53

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-1311255-A4 COMPOUNDS HAVING MIF ANTAGONIST ACTIVITY PICOWER INST MED RES (US) 2008-07-09 EP disclosed
EP-1311255-A1 COMPOUNDS HAVING MIF ANTAGONIST ACTIVITY THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2003-05-21 EP disclosed
US-6492428-B1 MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF); SUBSTITUTED IMINOQUINONE OR ORTHOQUINONE RING SYSTEMS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2002-12-10 US disclosed
WO-2002007720-A1 COMPOUNDS HAVING MIF ANTAGONIST ACTIVITY THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2002-01-31 WO disclosed