SCHEMBL7565768

SCHEMBL7565768

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.44
RXFP1 Q9HBX9 1/20 0.39
KLRK1 P26718 4/20 0.39
MICA Q29983 4/20 0.39
RAET1L Q5VY80 4/20 0.39
FGFR4 P22455 2/20 0.38
HDAC11 Q96DB2 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
RAD52 P43351 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNA5 P22460 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CTSS P25774 3/20 0.35
NCS1 P62166 1/20 0.35
CTSK P43235 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL7572699 0.86 AOX1 (0.46) AOX1RAD52HDAC1HDAC6
SCHEMBL8415065 0.85 AOX1 (0.47) AOX1RAD52HDAC1HDAC6
SCHEMBL7565752 0.85 FGFR4 (0.38) AOX1RXFP1KLRK1MICARAET1L
SCHEMBL8415046 0.85 AOX1 (0.53) AOX1RAD52HDAC1HDAC6
SCHEMBL7564042 0.84 AOX1 (0.46) AOX1RAD52HDAC1HDAC6
SCHEMBL8414087 0.84 AOX1 (0.46) AOX1RXFP1TAS1R3TAS1R1RAD52
SCHEMBL7567803 0.84 CTSS (0.46) AOX1HDAC11RAD52HDAC1HDAC6
SCHEMBL7570996 0.82 AOX1 (0.52) AOX1RAD52HDAC1HDAC6KCNA5
SCHEMBL7567204 0.82 NPC1 (0.47) AOX1RAD52
SCHEMBL7024935 0.82 AOX1 (0.66) AOX1RAD52HDAC1HDAC6PARP1

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