SCHEMBL7568076

SCHEMBL7568076

CCC(NC(=O)c1cccc2cc3cc(Cl)ccc3nc12)C(N)C(CC)NC(=O)c1cccc2cc3cc(Cl)ccc3nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRNP P04156 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PYGL P06737 2/20 0.34
RAD52 P43351 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGDR Q13258 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
SCHEMBL7566165 0.92 TAS1R3 (0.39) AOX1TAS1R3TAS1R1TAS1R2RXFP1
SCHEMBL7565766 0.88 AOX1 (0.46) AOX1TAS1R3TAS1R1TAS1R2TP53
SCHEMBL7566344 0.88 HDAC1 (0.48) AOX1TAS1R3TAS1R1TAS1R2HDAC1
SCHEMBL7565049 0.87 AOX1 (0.45) AOX1TAS1R3TAS1R1TAS1R2HDAC1
SCHEMBL7565639 0.87 AOX1 (0.45) AOX1TAS1R3TAS1R1TAS1R2HDAC1
SCHEMBL7564414 0.87 AOX1 (0.45) AOX1TAS1R3TAS1R1TAS1R2TP53
SCHEMBL7564186 0.86 AOX1 (0.44) AOX1TAS1R3TAS1R1TAS1R2TP53
SCHEMBL7564805 0.85 KDM4E (0.49) AOX1TAS1R3TAS1R1RXFP1TP53
SCHEMBL7570917 0.85 AOX1 (0.44) AOX1HDAC1HDAC6ALDH1A1RAD52
SCHEMBL7566419 0.85 AOX1 (0.44) AOX1TAS1R3TAS1R1TAS1R2HDAC1

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