SCHEMBL7564035

SCHEMBL7564035

CN(CCCNC(=O)c1cccc2cc3ccc(Br)cc3nc12)CCCNC(=O)c1cccc2cc3ccc(Br)cc3nc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
AOX1 Q06278 1/20 0.55
SIGMAR1 Q99720 6/20 0.48
TMEM97 Q5BJF2 5/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAD52 P43351 4/20 0.47
OPRM1 P35372 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
OPRK1 P41145 1/20 0.44
UHRF1 Q96T88 1/20 0.42
SMARCA2 P51531 1/20 0.42
HTT P42858 1/20 0.42
ACKR3 P25106 1/20 0.42
APP P05067 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7565054 0.93 AOX1 (0.62) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL7032809 0.89 AOX1 (0.69) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL7566347 0.89 HDAC1 (0.67) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL7566482 0.88 AOX1 (0.56) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL7566167 0.87 AOX1 (0.55) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL7572107 0.87 AOX1 (0.55) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL7567199 0.85 MEN1 (0.55) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL7565761 0.85 AOX1 (0.53) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL7567231 0.84 SIGMAR1 (0.55) HDAC1HDAC6AOX1SIGMAR1TMEM97
SCHEMBL14440618 0.84 HDAC1 (0.61) HDAC1HDAC6AOX1SIGMAR1TMEM97

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