SCHEMBL7567199

SCHEMBL7567199

COc1ccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6ccc(OC)cc6nc45)c3nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
AOX1 Q06278 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPT P10636 6/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 4/20 0.50
POLB P06746 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL7564809 0.93 AOX1 (0.60) MEN1KMT2AAOX1HDAC1HDAC6
SCHEMBL7564799 0.88 HDAC1 (0.52) MEN1KMT2AAOX1HDAC1HDAC6
SCHEMBL7566347 0.87 HDAC1 (0.67) MEN1KMT2AAOX1HDAC1HDAC6
SCHEMBL7566482 0.86 AOX1 (0.56) AOX1HDAC1HDAC6TP53RAD52
SCHEMBL7565820 0.86 RAD52 (0.55) MEN1KMT2AAOX1MAPTKDM4E
SCHEMBL7568269 0.86 RAD52 (0.55) MEN1KMT2AAOX1MAPTKDM4E
SCHEMBL7572107 0.85 AOX1 (0.55) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL7566167 0.85 AOX1 (0.55) AOX1HDAC1HDAC6KDM4EALDH1A1
SCHEMBL7564035 0.85 HDAC1 (0.57) AOX1HDAC1HDAC6MAPTKDM4E
SCHEMBL7565946 0.83 RAD52 (0.56) AOX1HDAC1HDAC6MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP claimed
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed