SCHEMBL7572040

SCHEMBL7572040

CN(CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12)CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SIGMAR1 Q99720 8/20 0.50
TMEM97 Q5BJF2 7/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
HTT P42858 1/20 0.48
AOX1 Q06278 1/20 0.47
TP53 P04637 3/20 0.46
UHRF1 Q96T88 1/20 0.46
MAPT P10636 2/20 0.46
APP P05067 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL7567055 0.88 HDAC1 (0.54) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7568106 0.88 SIGMAR1 (0.51) RAD52SIGMAR1TMEM97KDM4EALDH1A1
SCHEMBL7566347 0.86 HDAC1 (0.67) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7568080 0.83 AOX1 (0.62) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7566167 0.83 AOX1 (0.55) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL14440618 0.81 HDAC1 (0.61) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7564772 0.81 RAD52 (0.78) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7569011 0.78 RAD52 (0.59) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7567270 0.78 RAD52 (0.61) RAD52HDAC1HDAC6SIGMAR1TMEM97
SCHEMBL7571933 0.77 SIGMAR1 (0.55) RAD52HDAC1HDAC6SIGMAR1TMEM97

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 1 patent. 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