SCHEMBL7567055

SCHEMBL7567055

Cc1cc(C(=O)NCCCN(C)CCCNC(=O)c2cc(C)cc3cc4ccccc4nc23)c2nc3ccccc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HTT P42858 1/20 0.52
TMEM97 Q5BJF2 4/20 0.49
SIGMAR1 Q99720 4/20 0.49
OPRM1 P35372 3/20 0.49
OPRK1 P41145 1/20 0.49
RAD52 P43351 3/20 0.48
AOX1 Q06278 1/20 0.47
TP53 P04637 3/20 0.47
UHRF1 Q96T88 1/20 0.47
APP P05067 2/20 0.46
MAPT P10636 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7572040 0.88 RAD52 (0.53) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7566347 0.87 HDAC1 (0.67) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7573604 0.83 AOX1 (0.52) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7565771 0.83 AOX1 (0.63) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL14440618 0.82 HDAC1 (0.61) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7567270 0.81 RAD52 (0.61) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7565002 0.80 OPRM1 (0.52) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7564772 0.78 RAD52 (0.78) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7566482 0.78 AOX1 (0.56) HDAC1HDAC6HTTTMEM97SIGMAR1
SCHEMBL7567381 0.78 AOX1 (0.62) HDAC1HDAC6HTTTMEM97SIGMAR1

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 5 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
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed