SCHEMBL7565643

SCHEMBL7565643

CN(CCCNC(=O)c1cccc2cc3cc(F)ccc3nc12)CCCNC(=O)c1cccc2cc3cc(F)ccc3nc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.62
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RAD52 P43351 4/20 0.47
ACKR3 P25106 6/20 0.44
TMEM97 Q5BJF2 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMARCA2 P51531 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
APP P05067 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
SCHEMBL7572107 0.93 AOX1 (0.55) AOX1HDAC1HDAC6RAD52ACKR3
SCHEMBL7565771 0.88 AOX1 (0.63) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7566347 0.88 HDAC1 (0.67) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7565054 0.87 AOX1 (0.62) AOX1HDAC1HDAC6RAD52ACKR3
SCHEMBL7567381 0.87 AOX1 (0.62) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7568080 0.87 AOX1 (0.62) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7564417 0.86 AOX1 (0.61) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7565915 0.85 RAD52 (0.57) AOX1HDAC1HDAC6RAD52ACKR3
SCHEMBL7564190 0.85 AOX1 (0.60) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7570920 0.85 AOX1 (0.60) AOX1HDAC1HDAC6RAD52ACKR3

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