SCHEMBL6866024

SCHEMBL6866024

CCOC(=O)c1cnc2c3c(nccc13)C(=O)c1cccnc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 5/20 0.51
TOP2A P11388 1/20 0.46
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40

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
SCHEMBL6865737 0.91 TDP2 (0.51) TDP2IDO1ALDH1A1LMNAMAPT
SCHEMBL7043300 0.83 TOP2A (0.52) TDP2TOP2AKMT2AGAANSD2
SCHEMBL6407197 0.77 TOP2A (0.46) TDP2TOP2AGAANSD2ABL1
SCHEMBL6409824 0.75 TOP2A (0.57) TDP2TOP2AALDH1A1KMT2AGAA
SCHEMBL6408548 0.74 TOP2A (0.53) TDP2TOP2ALMNAMAPTMAPK1
Iodide SCHEMBL6867075 0.74 TOP2A (0.56) TDP2TOP2AALDH1A1KMT2AGAA
SCHEMBL6863937 0.74 TOP2A (0.50) TDP2TOP2ALMNAMAPTMAPK1
SCHEMBL7040428 0.73 MEN1 (0.42) TDP2TOP2AKMT2AGAANSD2
SCHEMBL6412880 0.72 TOP2A (0.57) TDP2TOP2AALDH1A1KMT2AGAA
SCHEMBL6867428 0.72 TOP2A (0.57) TDP2TOP2AALDH1A1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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