SCHEMBL7566458

SCHEMBL7566458

CN(CCCNC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12)CCCNC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.52
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RAD52 P43351 4/20 0.45
SIGMAR1 Q99720 8/20 0.43
TMEM97 Q5BJF2 6/20 0.43
APP P05067 1/20 0.43
SMARCA2 P51531 1/20 0.41
ACKR3 P25106 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7107762 0.89 AOX1 (0.65) AOX1HDAC1HDAC6RAD52SMARCA2
SCHEMBL7567397 0.86 HDAC1 (0.47) AOX1HDAC1HDAC6RAD52HTT
SCHEMBL7565915 0.86 RAD52 (0.57) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7564176 0.86 AOX1 (0.56) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7565761 0.84 AOX1 (0.53) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7571933 0.84 SIGMAR1 (0.55) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7567231 0.84 SIGMAR1 (0.55) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7567367 0.84 AOX1 (0.56) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7567967 0.84 AOX1 (0.54) AOX1HDAC1HDAC6RAD52SIGMAR1
SCHEMBL7566347 0.84 HDAC1 (0.67) AOX1HDAC1HDAC6RAD52SIGMAR1

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