SCHEMBL7565799

SCHEMBL7565799

Cc1cccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(C)cccc6nc45)cccc3cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.53
HTT P42858 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RAD52 P43351 5/20 0.50
TP53 P04637 2/20 0.48
UHRF1 Q96T88 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
TMEM97 Q5BJF2 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7569011 0.88 RAD52 (0.59) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL7567212 0.88 AOX1 (0.49) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL7566347 0.88 HDAC1 (0.67) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL7564176 0.88 AOX1 (0.56) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL7567238 0.86 RAD52 (0.47) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL7567270 0.86 RAD52 (0.61) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL7565910 0.85 RAD52 (0.55) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL8413271 0.84 RAD52 (0.57) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL7565771 0.83 AOX1 (0.63) AOX1HTTHDAC1HDAC6RAD52
SCHEMBL14440618 0.83 HDAC1 (0.61) AOX1HTTHDAC1HDAC6RAD52

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