SCHEMBL8624362

SCHEMBL8624362

CCc1cccc2cc3cccc(C(=O)NC(CC)NC)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TERT O14746 9/20 0.41
PARP1 P09874 2/20 0.39
CD38 P28907 1/20 0.39
AOX1 Q06278 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KAT6A Q92794 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL8412028 0.85 AOX1 (0.39) PARP1AOX1TAS1R3TAS1R1TAS1R2
SCHEMBL7567407 0.84 CTSS (0.46) PARP1CD38AOX1KAT6AHDAC1
SCHEMBL7569139 0.84 AOX1 (0.45) TERTPARP1CD38AOX1TAS1R3
SCHEMBL8415172 0.83 AOX1 (0.38) PARP1CD38AOX1TAS1R3TAS1R1
SCHEMBL7567962 0.83 TERT (0.39) TERTPARP1CD38AOX1TAS1R3
SCHEMBL7570667 0.80 AOX1 (0.47) PARP1AOX1TAS1R3TAS1R1TAS1R2
SCHEMBL7566755 0.77 TERT (0.46) TERTPARP1KAT6A
SCHEMBL8624357 0.77 HDAC1 (0.49) TERTCD38AOX1MEN1KMT2A
SCHEMBL27416308 0.76 PARP1 (0.61) TERTPARP1CD38PDE10A
SCHEMBL12565004 0.74 TERT (0.50) TERTPARP1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed