SCHEMBL7565752

SCHEMBL7565752

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.38
HDAC11 Q96DB2 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
AOX1 Q06278 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 1/20 0.36
PARP1 P09874 1/20 0.36
HDAC1 Q13547 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NCS1 P62166 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KLRK1 P26718 2/20 0.34
MICA Q29983 2/20 0.34
RAET1L Q5VY80 2/20 0.34
KCNA5 P22460 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7572103 0.87 AOX1 (0.39) AOX1TAS1R3TAS1R1PARP1HDAC1
SCHEMBL7566344 0.85 HDAC1 (0.48) AOX1TAS1R3TAS1R1PARP1HDAC1
SCHEMBL7565768 0.85 AOX1 (0.44) FGFR4HDAC11MAPKAPK2AOX1TAS1R3
SCHEMBL7566165 0.85 TAS1R3 (0.39) AOX1TAS1R3TAS1R1CTSSCTSK
SCHEMBL7564033 0.85 HDAC1 (0.40) AOX1TAS1R3TAS1R1PARP1HDAC1
SCHEMBL7566453 0.84 CTSS (0.47) HDAC11TAS1R3TAS1R1CTSSCTSK
SCHEMBL7566479 0.84 AOX1 (0.42) AOX1TAS1R3TAS1R1PARP1HDAC1
SCHEMBL7566419 0.83 AOX1 (0.44) AOX1TAS1R3TAS1R1HDAC1HDAC6
SCHEMBL7567197 0.83 KDM4E (0.48) TAS1R3TAS1R1PARP1ALDH1A1POLB
SCHEMBL7565639 0.81 AOX1 (0.45) AOX1TAS1R3TAS1R1HDAC1HDAC6

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