SCHEMBL8413591

SCHEMBL8413591

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.41
AOX1 Q06278 1/20 0.40
UHRF1 Q96T88 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
PYGL P06737 1/20 0.37
CYP2C9 P11712 1/20 0.37
TACR3 P29371 3/20 0.36
TACR2 P21452 2/20 0.36
HTT P42858 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8415046 0.87 AOX1 (0.53) RAD52AOX1UHRF1HDAC1HDAC6
SCHEMBL7567052 0.83 HDAC1 (0.39) RAD52HDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL7567055 0.77 HDAC1 (0.54) RAD52AOX1UHRF1HDAC1HDAC6
SCHEMBL8415065 0.76 AOX1 (0.47) RAD52AOX1UHRF1HDAC1HDAC6
SCHEMBL8415118 0.76 RAD52 (0.40) RAD52KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL8411691 0.76 MAPT (0.52) RAD52AOX1KDM4EALDH1A1MAPT
SCHEMBL7568211 0.76 AOX1 (0.53) RAD52AOX1UHRF1HDAC1HDAC6
SCHEMBL7565650 0.76 AOX1 (0.53) RAD52AOX1UHRF1HDAC1HDAC6
SCHEMBL8414249 0.76 AOX1 (0.53) RAD52AOX1UHRF1HDAC1HDAC6
SCHEMBL8414087 0.76 AOX1 (0.46) RAD52AOX1UHRF1HDAC1HDAC6

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