SCHEMBL7564042

SCHEMBL7564042

CCC(NC(=O)c1cccc2cc3ccc(Br)cc3nc12)N(C)C(CC)NC(=O)c1cccc2cc3ccc(Br)cc3nc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.46
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAD52 P43351 5/20 0.39
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
UHRF1 Q96T88 1/20 0.35
SMARCA2 P51531 1/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
CD38 P28907 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7568211 0.91 AOX1 (0.53) AOX1HDAC1HDAC6RAD52ALDH1A1
SCHEMBL8415065 0.88 AOX1 (0.47) AOX1HDAC1HDAC6RAD52TACR3
SCHEMBL8415046 0.88 AOX1 (0.53) AOX1HDAC1HDAC6RAD52TACR3
SCHEMBL8414087 0.87 AOX1 (0.46) AOX1HDAC1HDAC6RAD52TACR3
SCHEMBL7572699 0.87 AOX1 (0.46) AOX1HDAC1HDAC6RAD52TACR3
SCHEMBL7567204 0.85 NPC1 (0.47) AOX1RAD52ALDH1A1KDM4EGAA
SCHEMBL7565768 0.84 AOX1 (0.44) AOX1HDAC1HDAC6RAD52
SCHEMBL7567237 0.84 AOX1 (0.44) AOX1HDAC1HDAC6RAD52ALDH1A1
SCHEMBL7564033 0.84 HDAC1 (0.40) AOX1HDAC1HDAC6TACR3ALDH1A1
SCHEMBL7566415 0.82 RAD52 (0.47) AOX1HDAC1HDAC6RAD52TACR3

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