SCHEMBL7567285

SCHEMBL7567285

CC(C)c1cccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cccc(C(C)C)c6nc45)c3nc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.54
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SIGMAR1 Q99720 7/20 0.43
TMEM97 Q5BJF2 5/20 0.43
OPRM1 P35372 3/20 0.43
APP P05067 2/20 0.43
RAD52 P43351 3/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMARCA2 P51531 1/20 0.41
OPRK1 P41145 2/20 0.41
HTT P42858 1/20 0.41
ACKR3 P25106 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
SCHEMBL7033962 0.89 AOX1 (0.69) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL8412027 0.86 AOX1 (0.48) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL7564176 0.86 AOX1 (0.56) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7565915 0.84 RAD52 (0.57) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7567231 0.84 SIGMAR1 (0.55) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7567367 0.84 AOX1 (0.56) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7571933 0.84 SIGMAR1 (0.55) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7567967 0.84 AOX1 (0.54) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7564190 0.84 AOX1 (0.60) AOX1HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7566347 0.84 HDAC1 (0.67) 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