SCHEMBL7567962

SCHEMBL7567962

CCc1cccc2cc3cccc(C(=O)NC(CC)C(N)C(CC)NC(=O)c4cccc5cc6cccc(CC)c6nc45)c3nc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 8/20 0.39
PARP1 P09874 3/20 0.38
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CD38 P28907 1/20 0.38
AOX1 Q06278 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT6A Q92794 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL7564172 0.88 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2CD38AOX1
SCHEMBL7567229 0.87 TAS1R3 (0.37) PARP1TAS1R3TAS1R1TAS1R2CD38
SCHEMBL7565911 0.87 RAD52 (0.39) PARP1TAS1R3TAS1R1TAS1R2CD38
SCHEMBL7571929 0.87 TAS1R3 (0.48) PARP1TAS1R3TAS1R1TAS1R2CD38
SCHEMBL7567278 0.86 AOX1 (0.38) PARP1TAS1R3TAS1R1TAS1R2AOX1
SCHEMBL7566344 0.86 HDAC1 (0.48) PARP1TAS1R3TAS1R1TAS1R2AOX1
SCHEMBL7566453 0.85 CTSS (0.47) PARP1TAS1R3TAS1R1TAS1R2CD38
SCHEMBL7565944 0.85 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL7564130 0.84 MEN1 (0.40) PARP1TAS1R3TAS1R1TAS1R2AOX1
SCHEMBL7573598 0.84 TAS1R3 (0.38) PARP1TAS1R3TAS1R1TAS1R2CD38

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