SCHEMBL7566347

SCHEMBL7566347

CN(CCCNC(=O)c1cccc2cc3ccccc3nc12)CCCNC(=O)c1cccc2cc3ccccc3nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
AOX1 Q06278 1/20 0.61
RAD52 P43351 5/20 0.55
SIGMAR1 Q99720 4/20 0.52
TMEM97 Q5BJF2 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
HTT P42858 1/20 0.52
UHRF1 Q96T88 1/20 0.52
TP53 P04637 2/20 0.49
SMARCA2 P51531 1/20 0.49
APP P05067 1/20 0.49
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL14440618 0.94 HDAC1 (0.61) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7566482 0.90 AOX1 (0.56) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7567381 0.90 AOX1 (0.62) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7564035 0.89 HDAC1 (0.57) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7572107 0.89 AOX1 (0.55) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7566167 0.89 AOX1 (0.55) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7565771 0.89 AOX1 (0.63) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7567367 0.88 AOX1 (0.56) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7570920 0.88 AOX1 (0.60) HDAC1HDAC6AOX1RAD52SIGMAR1
SCHEMBL7564176 0.88 AOX1 (0.56) HDAC1HDAC6AOX1RAD52SIGMAR1

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 5 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
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