SCHEMBL7570667

SCHEMBL7570667

CCC(NC)NC(=O)c1cccc2cc3cc(Br)ccc3nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.47
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RAD52 P43351 1/20 0.35
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7568211 0.86 AOX1 (0.53) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7570655 0.85 AOX1 (0.45) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7565049 0.85 AOX1 (0.45) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL8624362 0.80 TERT (0.41) AOX1HDAC1HDAC6PARP1TAS1R3
SCHEMBL8412028 0.78 AOX1 (0.39) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7570661 0.78 AOX1 (0.57) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7567407 0.77 CTSS (0.46) AOX1HDAC1HDAC6GAAPOLB
SCHEMBL7564042 0.77 AOX1 (0.46) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL7027447 0.76 AOX1 (0.78) AOX1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL8415172 0.76 AOX1 (0.38) AOX1HDAC1HDAC6ALDH1A1GAA

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