SCHEMBL7565049

SCHEMBL7565049

CCC(NC(=O)c1cccc2cc3cc(Br)ccc3nc12)C(N)C(CC)NC(=O)c1cccc2cc3cc(Br)ccc3nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
P4HB P07237 1/20 0.34
RAD52 P43351 1/20 0.34
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 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
SCHEMBL7564033 0.92 HDAC1 (0.40) AOX1HDAC1HDAC6ALDH1A1GAA
SCHEMBL7565766 0.88 AOX1 (0.46) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7566344 0.88 HDAC1 (0.48) AOX1HDAC1HDAC6ALDH1A1GAA
SCHEMBL7565639 0.87 AOX1 (0.45) AOX1HDAC1HDAC6GAATAS1R3
SCHEMBL7564414 0.87 AOX1 (0.45) AOX1HDAC1HDAC6ALDH1A1GAA
SCHEMBL7568076 0.87 AOX1 (0.45) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7564186 0.86 AOX1 (0.44) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7564805 0.85 KDM4E (0.49) AOX1ALDH1A1GAAKDM4ETAS1R3
SCHEMBL7566419 0.85 AOX1 (0.44) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7570917 0.85 AOX1 (0.44) AOX1HDAC1HDAC6ALDH1A1RAD52

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