SCHEMBL7572168

SCHEMBL7572168

CNCCCNC(=O)c1cccc2cc3cc(Cl)ccc3nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KLK7 P49862 1/20 0.44
RAD52 P43351 3/20 0.43
KMT2A Q03164 3/20 0.42
PRNP P04156 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CDK1 P06493 1/20 0.40
IDH1 O75874 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMARCA2 P51531 1/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8415114 0.91 HDAC1 (0.64) AOX1HDAC1HDAC6KLK7RAD52
SCHEMBL7568080 0.88 AOX1 (0.62) AOX1HDAC1HDAC6KLK7RAD52
SCHEMBL8415112 0.87 AOX1 (0.54) AOX1HDAC1HDAC6KLK7RAD52
SCHEMBL7570661 0.87 AOX1 (0.57) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL8414264 0.85 AOX1 (0.61) AOX1HDAC1HDAC6RAD52KMT2A
SCHEMBL8414078 0.84 RAD52 (0.46) AOX1HDAC1HDAC6RAD52KMT2A
SCHEMBL7573723 0.84 RAD52 (0.46) AOX1HDAC1HDAC6RAD52KMT2A
SCHEMBL7573617 0.84 HDAC1 (0.49) AOX1HDAC1HDAC6RAD52KMT2A
SCHEMBL7566167 0.81 AOX1 (0.55) AOX1HDAC1HDAC6RAD52TMEM97
SCHEMBL8413595 0.80 AOX1 (0.54) AOX1HDAC1HDAC6RAD52SMARCA2

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