SCHEMBL6408046

SCHEMBL6408046

COc1cnc2c3c(nccc13)-c1nccc(N(C)C)c1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
CREBBP Q92793 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM1 Q13255 5/20 0.36
GRM5 P41594 2/20 0.35

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
SCHEMBL6409035 0.90 HTT (0.42) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6407142 0.85 MAPT (0.46) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6414255 0.81 HTT (0.34) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6409043 0.78 MAPT (0.46) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6407904 0.77 HTT (0.33) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6865846 0.77 MAOA (0.37) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6408548 0.75 TOP2A (0.53) HTTMAPTKMT2ALMNAHPGD
SCHEMBL7804334 0.74 MAOA (0.53) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6409081 0.73 HKDC1 (0.46) HTTMAPTKMT2ALMNAHPGD
SCHEMBL6407769 0.72 LMNA (0.44) HTTMAPTKMT2ALMNAHPGD

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-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-1202993-A2 PHENANTHROLINE-7-ONE DERIVATIVES AND THEIR THERAPEUTIC USES LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
WO-2001012632-A2 PHENANTHROLINE-7-ONE DERIVATIVES AND THEIR THERAPEUTIC USES LABORATOIRE L. LAFON (FR) 2001-02-22 WO disclosed