SCHEMBL7566165

SCHEMBL7566165

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AOX1 Q06278 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 3/20 0.36
BACE1 P56817 1/20 0.35
RAB9A P51151 2/20 0.35
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL7568076 0.92 AOX1 (0.45) TAS1R3TAS1R1TAS1R2TP53RXFP1
SCHEMBL7566344 0.88 HDAC1 (0.48) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7572103 0.87 AOX1 (0.39) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7564033 0.87 HDAC1 (0.40) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7566479 0.86 AOX1 (0.42) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL7567197 0.85 KDM4E (0.48) TAS1R3TAS1R1ALDH1A1RAB9APARP1
SCHEMBL7568244 0.85 MAPT (0.41) TAS1R3TAS1R1TAS1R2TP53RXFP1
SCHEMBL7565752 0.85 FGFR4 (0.38) TAS1R3TAS1R1RXFP1AOX1HDAC1
SCHEMBL7571929 0.84 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2AOX1HDAC1
SCHEMBL8414087 0.84 AOX1 (0.46) TAS1R3TAS1R1TAS1R2TP53RXFP1

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