SCHEMBL7568080

SCHEMBL7568080

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.62
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SIGMAR1 Q99720 9/20 0.52
TMEM97 Q5BJF2 8/20 0.52
RAD52 P43351 3/20 0.47
KLK7 P49862 1/20 0.43
SMARCA2 P51531 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
APP P05067 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
SCHEMBL7566167 0.93 AOX1 (0.55) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL8415114 0.90 HDAC1 (0.64) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7572168 0.88 AOX1 (0.57) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7565771 0.88 AOX1 (0.63) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7566347 0.88 HDAC1 (0.67) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7565643 0.87 AOX1 (0.62) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7567381 0.87 AOX1 (0.62) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7565054 0.87 AOX1 (0.62) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7564417 0.86 AOX1 (0.61) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7568248 0.86 RAD52 (0.52) 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 3 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