SCHEMBL7565771

SCHEMBL7565771

Cc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(C)ccc6nc45)cccc3cc2c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.63
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.50
RAD52 P43351 4/20 0.48
TP53 P04637 3/20 0.48
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
SMARCA2 P51531 1/20 0.43
SIGMAR1 Q99720 4/20 0.43
TMEM97 Q5BJF2 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL8414469 0.91 HDAC1 (0.64) AOX1HDAC1HDAC6MAPTTHRB
SCHEMBL7566347 0.89 HDAC1 (0.67) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7565643 0.88 AOX1 (0.62) AOX1HDAC1HDAC6RAD52HTT
SCHEMBL7568080 0.88 AOX1 (0.62) AOX1HDAC1HDAC6RAD52HTT
SCHEMBL7565054 0.88 AOX1 (0.62) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7567381 0.88 AOX1 (0.62) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7564417 0.87 AOX1 (0.61) AOX1HDAC1HDAC6MAPTRAD52
SCHEMBL7573604 0.87 AOX1 (0.52) AOX1HDAC1HDAC6RAD52TP53
SCHEMBL8414466 0.87 AOX1 (0.57) AOX1HDAC1HDAC6MAPTTHRB
SCHEMBL7564176 0.86 AOX1 (0.56) AOX1HDAC1HDAC6RAD52HTT

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