SCHEMBL7568883

SCHEMBL7568883

Cc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(C)cc6nc45)c3nc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.53
SMARCA2 P51531 1/20 0.50
AOX1 Q06278 1/20 0.48
HTT P42858 2/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
THRB P10828 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
APP P05067 1/20 0.42

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
SCHEMBL7566551 1.00 RAD52 (0.53) RAD52SMARCA2AOX1HTTHDAC1
SCHEMBL7566429 0.90 RAD52 (0.60) RAD52SMARCA2AOX1HTTHDAC1
SCHEMBL7566503 0.88 RAD52 (0.52) RAD52SMARCA2AOX1HTTHDAC1
SCHEMBL7568248 0.88 RAD52 (0.52) RAD52SMARCA2AOX1HTTHDAC1
SCHEMBL8013625 0.87 RAD52 (0.47) RAD52SMARCA2AOX1HTTHDAC1
SCHEMBL7998025 0.87 RAD52 (0.47) RAD52SMARCA2AOX1HTTHDAC1
SCHEMBL7568269 0.86 RAD52 (0.55) RAD52SMARCA2AOX1MAPTTP53
SCHEMBL7565820 0.86 RAD52 (0.55) RAD52SMARCA2AOX1MAPTTP53
SCHEMBL7565771 0.86 AOX1 (0.63) RAD52SMARCA2AOX1HTTHDAC1
SCHEMBL8415106 0.86 RAD52 (0.55) RAD52SMARCA2AOX1HTTHDAC1

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 4 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
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