SCHEMBL7567052

SCHEMBL7567052

CCC(NC(=O)c1cc(C)cc2cc3ccccc3nc12)C(N)C(CC)NC(=O)c1cc(C)cc2cc3ccccc3nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
PYGL P06737 2/20 0.36
CYP2C9 P11712 2/20 0.36
TACR3 P29371 3/20 0.36
TACR2 P21452 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
KDR P35968 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7572037 0.88 ALDH1A1 (0.39) HDAC1HDAC6MAPTKDM4EALDH1A1
SCHEMBL7566344 0.87 HDAC1 (0.48) HDAC1HDAC6MAPTKDM4EALDH1A1
SCHEMBL7565766 0.83 AOX1 (0.46) HDAC1HDAC6MAPTKDM4EALDH1A1
SCHEMBL8413591 0.83 RAD52 (0.41) HDAC1HDAC6MAPTKDM4EALDH1A1
SCHEMBL7567267 0.81 RAD52 (0.44) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL7573598 0.81 TAS1R3 (0.38) HDAC1HDAC6ALDH1A1GAAPOLB
SCHEMBL7564998 0.80 PKMYT1 (0.40) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL7564769 0.78 RAD52 (0.59) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL7565793 0.77 MAPT (0.40) HDAC1HDAC6MAPTKDM4EALDH1A1
SCHEMBL7566322 0.77 CCR1 (0.42) HDAC1MAPTKDM4EALDH1A1GAA

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