SCHEMBL7564186

SCHEMBL7564186

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.44
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 1/20 0.34
FADS1 O60427 1/20 0.34
RAD52 P43351 1/20 0.33
SORT1 Q99523 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
TACR3 P29371 3/20 0.32
TACR2 P21452 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PLG P00747 1/20 0.32

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
SCHEMBL7565766 0.87 AOX1 (0.46) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7566344 0.87 HDAC1 (0.48) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7565639 0.86 AOX1 (0.45) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7564414 0.86 AOX1 (0.45) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7565049 0.86 AOX1 (0.45) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7568076 0.86 AOX1 (0.45) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7564805 0.84 KDM4E (0.49) AOX1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL7570917 0.84 AOX1 (0.44) AOX1HDAC1HDAC6RAD52TACR3
SCHEMBL7566419 0.84 AOX1 (0.44) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7567278 0.83 AOX1 (0.38) AOX1TAS1R3TAS1R1TAS1R2MEN1

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