SCHEMBL7568211

SCHEMBL7568211

CCC(NC(=O)c1cccc2cc3cc(Br)ccc3nc12)N(C)C(CC)NC(=O)c1cccc2cc3cc(Br)ccc3nc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.53
RAD52 P43351 5/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
SMARCA2 P51531 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
UHRF1 Q96T88 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7564042 0.91 AOX1 (0.46) AOX1RAD52HDAC1HDAC6ALDH1A1
SCHEMBL8415046 0.88 AOX1 (0.53) AOX1RAD52HDAC1HDAC6ALDH1A1
SCHEMBL7565650 0.87 AOX1 (0.53) AOX1RAD52HDAC1HDAC6ALDH1A1
SCHEMBL8414249 0.87 AOX1 (0.53) AOX1RAD52HDAC1HDAC6ALDH1A1
SCHEMBL7570667 0.86 AOX1 (0.47) AOX1RAD52HDAC1HDAC6ALDH1A1
SCHEMBL7570996 0.85 AOX1 (0.52) AOX1RAD52HDAC1HDAC6SMARCA2
SCHEMBL7571848 0.85 AOX1 (0.52) AOX1RAD52ALDH1A1HPGDKDM4E
SCHEMBL7567237 0.84 AOX1 (0.44) AOX1RAD52HDAC1HDAC6ALDH1A1
SCHEMBL7570655 0.84 AOX1 (0.45) AOX1RAD52HDAC1HDAC6ALDH1A1
SCHEMBL7565049 0.84 AOX1 (0.45) AOX1RAD52HDAC1HDAC6ALDH1A1

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