SCHEMBL7564809

SCHEMBL7564809

COc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(OC)ccc6nc45)cccc3cc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.60
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 5/20 0.49
RAD52 P43351 4/20 0.48
SIGMAR1 Q99720 2/20 0.48
SMARCA2 P51531 1/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
UHRF1 Q96T88 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AURKA O14965 1/20 0.44
MET P08581 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44

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
SCHEMBL7567199 0.93 MEN1 (0.55) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7568269 0.87 RAD52 (0.55) AOX1MAPTRAD52SIGMAR1SMARCA2
SCHEMBL7565820 0.87 RAD52 (0.55) AOX1MAPTRAD52SIGMAR1SMARCA2
SCHEMBL7565771 0.86 AOX1 (0.63) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7566347 0.86 HDAC1 (0.67) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7565643 0.85 AOX1 (0.62) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7565054 0.85 AOX1 (0.62) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7568080 0.85 AOX1 (0.62) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7567381 0.85 AOX1 (0.62) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7564417 0.84 AOX1 (0.61) AOX1HDAC1HDAC6MAPTRAD52

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