SCHEMBL7567229

SCHEMBL7567229

CCC(NC(=O)c1cccc2cc3cccc(Br)c3nc12)C(N)C(CC)NC(=O)c1cccc2cc3cccc(Br)c3nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 1/20 0.37
AOX1 Q06278 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
PARP1 P09874 2/20 0.35
KMT2A Q03164 2/20 0.34
F2R P25116 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CD38 P28907 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL7567962 0.87 TERT (0.39) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7564172 0.87 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7565911 0.86 RAD52 (0.39) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7571929 0.86 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7567278 0.85 AOX1 (0.38) TAS1R3TAS1R1TAS1R2AOX1PARP1
SCHEMBL7566344 0.85 HDAC1 (0.48) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7565049 0.84 AOX1 (0.45) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7564033 0.84 HDAC1 (0.40) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7565944 0.84 TAS1R3 (0.46) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL7566453 0.84 CTSS (0.47) TAS1R3TAS1R1TAS1R2HDAC1HDAC6

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