SCHEMBL7565052

SCHEMBL7565052

Cc1ccc(Cl)c2cc3cccc(C(=O)NCCCC(N)CCCNC(=O)c4cccc5cc6c(Cl)ccc(C)c6nc45)c3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.46
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGS2 P35354 4/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOX1 Q06278 1/20 0.39
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 2/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7568141 0.93 RAD52 (0.52) RAD52HDAC1HDAC6MAPK1ALDH1A1
SCHEMBL7567208 0.92 HDAC1 (0.43) RAD52HDAC1HDAC6MAPK1ALDH1A1
SCHEMBL7567233 0.85 RAD52 (0.40) RAD52HDAC1HDAC6MAPK1ALDH1A1
SCHEMBL7565057 0.85 RAD52 (0.54) RAD52HDAC1HDAC6AOX1TP53
SCHEMBL7568123 0.80 RAD52 (0.47) RAD52HDAC1HDAC6MAPTAOX1
SCHEMBL8413334 0.79 RAD52 (0.54) RAD52HDAC1HDAC6ALDH1A1HPGD
SCHEMBL7570699 0.78 HDAC1 (0.45) RAD52HDAC1HDAC6MAPK1ALDH1A1
SCHEMBL7567419 0.78 RAD52 (0.60) RAD52MAPTAOX1TP53
SCHEMBL7567360 0.77 AOX1 (0.51) RAD52HDAC1HDAC6AOX1KCNH2
SCHEMBL7567212 0.76 AOX1 (0.49) RAD52HDAC1HDAC6MAPTAOX1

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