SCHEMBL8414249

SCHEMBL8414249

CCc1ccc2nc3c(C(=O)NC(CC)N(C)C(CC)NC(=O)c4cccc5cc6cc(CC)ccc6nc45)cccc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.53
RAD52 P43351 5/20 0.41
PARP1 P09874 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMARCA2 P51531 1/20 0.36
TP53 P04637 2/20 0.36
UHRF1 Q96T88 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TERT O14746 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8415046 0.88 AOX1 (0.53) AOX1RAD52MEN1KMT2AHDAC1
SCHEMBL7568211 0.87 AOX1 (0.53) AOX1RAD52MEN1KMT2AHDAC1
SCHEMBL7565650 0.87 AOX1 (0.53) AOX1RAD52HDAC1HDAC6SMARCA2
SCHEMBL7571848 0.85 AOX1 (0.52) AOX1RAD52SMARCA2TP53UHRF1
SCHEMBL7570996 0.85 AOX1 (0.52) AOX1RAD52MEN1KMT2AHDAC1
SCHEMBL7564414 0.84 AOX1 (0.45) AOX1RAD52PARP1MEN1KMT2A
SCHEMBL7026713 0.83 AOX1 (0.76) AOX1RAD52PARP1HDAC1HDAC6
SCHEMBL7569139 0.83 AOX1 (0.45) AOX1RAD52PARP1MEN1KMT2A
SCHEMBL8415065 0.81 AOX1 (0.47) AOX1RAD52MEN1KMT2AHDAC1
SCHEMBL7567999 0.81 AOX1 (0.47) AOX1RAD52MEN1KMT2ASMARCA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed