SCHEMBL7567360

SCHEMBL7567360

CN(C)c1cccc2cc3cccc(C(=O)NCCCC(N)CCCNC(=O)c4cccc5cc6cccc(N(C)C)c6nc45)c3nc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.51
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RAD52 P43351 6/20 0.41
SMARCA2 P51531 1/20 0.41
HDAC3 O15379 2/20 0.40
APP P05067 1/20 0.37
UHRF1 Q96T88 2/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALOX5 P09917 2/20 0.36

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
SCHEMBL7567377 0.85 AOX1 (0.58) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL8413595 0.85 AOX1 (0.54) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL7567367 0.85 AOX1 (0.56) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL7567208 0.80 HDAC1 (0.43) AOX1HDAC1HDAC6RAD52HTT
SCHEMBL7565052 0.77 RAD52 (0.46) AOX1HDAC1HDAC6RAD52KCNH2
SCHEMBL7568123 0.76 RAD52 (0.47) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL7567233 0.76 RAD52 (0.40) HDAC1HDAC6RAD52UHRF1HTT
SCHEMBL7568141 0.74 RAD52 (0.52) HDAC1HDAC6RAD52UHRF1HTT
SCHEMBL7564176 0.74 AOX1 (0.56) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL7566347 0.74 HDAC1 (0.67) AOX1HDAC1HDAC6RAD52SMARCA2

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