SCHEMBL7572107

SCHEMBL7572107

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RAD52 P43351 5/20 0.47
TMEM97 Q5BJF2 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
OPRM1 P35372 2/20 0.44
OPRK1 P41145 1/20 0.44
ACKR3 P25106 5/20 0.43
UHRF1 Q96T88 1/20 0.42
SMARCA2 P51531 1/20 0.42
HTT P42858 1/20 0.42
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
SCHEMBL7565643 0.93 AOX1 (0.62) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7023521 0.89 AOX1 (0.69) AOX1HDAC1HDAC6RAD52ACKR3
SCHEMBL7566347 0.89 HDAC1 (0.67) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7566482 0.88 AOX1 (0.56) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7566167 0.87 AOX1 (0.55) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7564035 0.87 HDAC1 (0.57) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7565761 0.87 AOX1 (0.53) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7567199 0.85 MEN1 (0.55) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL7565915 0.84 RAD52 (0.57) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL14440618 0.84 HDAC1 (0.61) AOX1HDAC1HDAC6RAD52TMEM97

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