SCHEMBL7567231

SCHEMBL7567231

CN(CCCNC(=O)c1cccc2cc3cccc(Br)c3nc12)CCCNC(=O)c1cccc2cc3cccc(Br)c3nc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
AOX1 Q06278 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APP P05067 1/20 0.45
TMEM97 Q5BJF2 5/20 0.44
RAD52 P43351 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
SMARCA2 P51531 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7564176 0.88 AOX1 (0.56) SIGMAR1AOX1HDAC1HDAC6APP
SCHEMBL7567967 0.86 AOX1 (0.54) SIGMAR1AOX1HDAC1HDAC6TP53
SCHEMBL7567367 0.86 AOX1 (0.56) SIGMAR1AOX1HDAC1HDAC6TP53
SCHEMBL7565915 0.86 RAD52 (0.57) SIGMAR1AOX1HDAC1HDAC6APP
SCHEMBL7571933 0.86 SIGMAR1 (0.55) SIGMAR1AOX1HDAC1HDAC6APP
SCHEMBL7566347 0.86 HDAC1 (0.67) SIGMAR1AOX1HDAC1HDAC6TP53
SCHEMBL7565054 0.85 AOX1 (0.62) SIGMAR1AOX1HDAC1HDAC6TP53
SCHEMBL7564035 0.84 HDAC1 (0.57) SIGMAR1AOX1HDAC1HDAC6TP53
SCHEMBL7565946 0.84 RAD52 (0.56) SIGMAR1AOX1HDAC1HDAC6MAPT
SCHEMBL7566458 0.84 AOX1 (0.52) SIGMAR1AOX1HDAC1HDAC6TP53

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