SCHEMBL7565054

SCHEMBL7565054

CN(CCCNC(=O)c1cccc2cc3cc(Br)ccc3nc12)CCCNC(=O)c1cccc2cc3cc(Br)ccc3nc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.62
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
SIGMAR1 Q99720 6/20 0.49
TMEM97 Q5BJF2 5/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAD52 P43351 4/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMARCA2 P51531 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
ACKR3 P25106 1/20 0.42
APP P05067 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL7564035 0.93 HDAC1 (0.57) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7027447 0.89 AOX1 (0.78) AOX1HDAC1HDAC6KDM4EALDH1A1
SCHEMBL7570661 0.88 AOX1 (0.57) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7565771 0.88 AOX1 (0.63) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7566347 0.88 HDAC1 (0.67) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7568080 0.87 AOX1 (0.62) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7565643 0.87 AOX1 (0.62) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7567381 0.87 AOX1 (0.62) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7564417 0.86 AOX1 (0.61) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7567231 0.85 SIGMAR1 (0.55) AOX1HDAC1HDAC6SIGMAR1TMEM97

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