SCHEMBL6412872

SCHEMBL6412872

COc1ccc2c(n1)C(=O)C=CC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.58
CDC25B P30305 2/20 0.41
NSD2 O96028 3/20 0.39
TDP2 O95551 1/20 0.39
BRD9 Q9H8M2 3/20 0.38
BRD7 Q9NPI1 3/20 0.38
TOP1 P11387 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NNMT P40261 1/20 0.36
TXNRD1 Q16881 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL2599222 0.74 S100A4 (1.00) S100A4CDC25BNSD2TDP2ALDH1A1
SCHEMBL3555324 0.72 S100A4 (0.51) S100A4CDC25BKDM4EMAPTMAOA
SCHEMBL11358184 0.69 S100A4 (0.59) S100A4CDC25BPOLBKDM4EALDH1A1
SCHEMBL28289103 0.69 S100A4 (0.59) S100A4CDC25BNSD2TDP2POLB
SCHEMBL1893435 0.67 CA9 (0.50) S100A4TDP1KDM4EALDH1A1MAPT
SCHEMBL3546351 0.67 S100A4 (0.55) S100A4CDC25BALDH1A1HPGDIDO1
SCHEMBL22310713 0.66 USP8 (0.43) NSD2TXNRD1IDO1G6PDDNMT1
SCHEMBL17276010 0.66 BRD9 (0.56) BRD9BRD7POLBTDP1NNMT
SCHEMBL31438401 0.66 BRD9 (0.56) BRD9BRD7POLBTDP1NNMT
SCHEMBL24834476 0.65 ALDH1A1 (0.50) BRD9BRD7POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202993-B1 PHENANTHROLINE-7-ONE DERIVATIVES AND THEIR THERAPEUTIC USES LAFON LABOR (FR) 2005-10-19 EP disclosed
US-6809096-B1 SUCH AS 11-METHOXY-7H-PYRIDO(4,3,2-DE)(1,7)PHENANTHROLINE-7-ONE; ANTITUMOR AGENTS LABORATOIRE L. LAFON (FR) 2004-10-26 US disclosed
EP-1202992-B1 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS CEPHALON FRANCE (FR) 2004-09-15 EP disclosed
US-6515127-B1 The invention concerns a method for preparing quinoline-5,8-diones of formula (I) light-induced oxygenation of a 8-hydroxyquinoline. and intermediates LABORATOIRE L. LAFON (FR) 2003-02-04 US disclosed
EP-1202972-A2 METHOD FOR PREPARING QUINOLINE-5,8-DIONES LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
EP-1202992-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
EP-1202993-A2 PHENANTHROLINE-7-ONE DERIVATIVES AND THEIR THERAPEUTIC USES LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
WO-2001012597-A2 METHOD FOR PREPARING QUINOLINE-5,8-DIONES LABORATOIRE L. LAFON (FR) 2001-02-22 WO disclosed
WO-2001012632-A2 PHENANTHROLINE-7-ONE DERIVATIVES AND THEIR THERAPEUTIC USES LABORATOIRE L. LAFON (FR) 2001-02-22 WO disclosed
WO-2001012631-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2001-02-22 WO disclosed