SCHEMBL6409853

SCHEMBL6409853

Cc1ccnc2c1C(=O)c1c([N+](=O)[O-])ccnc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.40
PAX8 Q06710 1/20 0.38
PTPRC P08575 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 4/20 0.37
RECQL P46063 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL6415761 0.95 SMN1; SMN2 (0.39) S100A4HSD17B10TSHRSMN1; SMN2CYP3A4
SCHEMBL6597622 0.77 NOS2 (0.43) S100A4PAX8PTPRCTDP1KMT2A
SCHEMBL7991158 0.73 NOS2 (0.43) S100A4PAX8PTPRCTDP1KMT2A
SCHEMBL12110300 0.72 TSHR (0.60) S100A4HSD17B10TSHRSMN1; SMN2CYP3A4
SCHEMBL6414875 0.71 ALDH1A1 (0.34) HSD17B10TSHRTDP1KMT2AMEN1
SCHEMBL8544743 0.71 TDP1 (0.60) S100A4HSD17B10TSHRCYP3A4HIF1A
SCHEMBL6414860 0.70 S100A4 (0.43) S100A4TSHRSMN1; SMN2CYP3A4HPGD
SCHEMBL6408518 0.69 TDP2 (0.55) S100A4PAX8PTPRCTDP1KMT2A
SCHEMBL7185150 0.69 MAOB (0.45) S100A4HSD17B10SMN1; SMN2CYP3A4TP53
Cleistopholine SCHEMBL6358965 0.68 ALDH1A1 (0.55) TSHRSMN1; SMN2CYP3A4PAX8PTPRC

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