SCHEMBL8413271

SCHEMBL8413271

CN(CCCNC(=O)c1cccc2nc3ccccc3cc12)CCCNC(=O)c1cccc2nc3ccccc3nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.57
HTT P42858 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
UHRF1 Q96T88 1/20 0.52
TP53 P04637 2/20 0.49
SIGMAR1 Q99720 3/20 0.49
TMEM97 Q5BJF2 2/20 0.49
SMARCA2 P51531 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
AOX1 Q06278 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL7566429 0.91 RAD52 (0.60) RAD52HTTHDAC1HDAC6TP53
SCHEMBL7566347 0.87 HDAC1 (0.67) RAD52HTTHDAC1HDAC6UHRF1
SCHEMBL8415214 0.86 RAD52 (0.56) RAD52HTTHDAC1HDAC6TP53
SCHEMBL8415106 0.85 RAD52 (0.55) RAD52HTTHDAC1HDAC6TP53
SCHEMBL7566551 0.84 RAD52 (0.53) RAD52HTTHDAC1HDAC6TP53
SCHEMBL7568883 0.84 RAD52 (0.53) RAD52HTTHDAC1HDAC6TP53
SCHEMBL7565799 0.84 AOX1 (0.53) RAD52HTTHDAC1HDAC6UHRF1
SCHEMBL7569011 0.83 RAD52 (0.59) RAD52HTTHDAC1HDAC6UHRF1
SCHEMBL7566503 0.83 RAD52 (0.52) RAD52HTTHDAC1HDAC6TP53
SCHEMBL7568248 0.83 RAD52 (0.52) RAD52HTTHDAC1HDAC6TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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