SCHEMBL7573604

SCHEMBL7573604

Cc1cc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(C)cc(C)c6nc45)cccc3cc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.52
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HTT P42858 2/20 0.43
APP P05067 2/20 0.43
SIGMAR1 Q99720 6/20 0.43
TMEM97 Q5BJF2 4/20 0.43
RAD52 P43351 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMARCA2 P51531 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TET3 O43151 1/20 0.41
TET2 Q6N021 1/20 0.41
TET1 Q8NFU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7564176 0.91 AOX1 (0.56) AOX1HDAC1HDAC6HTTAPP
SCHEMBL7565771 0.87 AOX1 (0.63) AOX1HDAC1HDAC6HTTAPP
SCHEMBL8415169 0.86 HDAC1 (0.47) AOX1HDAC1HDAC6HTTRAD52
SCHEMBL14440614 0.86 AOX1 (0.51) AOX1HDAC1HDAC6HTTAPP
SCHEMBL7567212 0.84 AOX1 (0.49) AOX1HDAC1HDAC6HTTAPP
SCHEMBL7567367 0.84 AOX1 (0.56) AOX1HDAC1HDAC6HTTAPP
SCHEMBL7567231 0.84 SIGMAR1 (0.55) AOX1HDAC1HDAC6HTTAPP
SCHEMBL7571933 0.84 SIGMAR1 (0.55) AOX1HDAC1HDAC6APPSIGMAR1
SCHEMBL7565915 0.84 RAD52 (0.57) AOX1HDAC1HDAC6HTTAPP
SCHEMBL7567967 0.84 AOX1 (0.54) AOX1HDAC1HDAC6HTTAPP

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