SCHEMBL7564071

SCHEMBL7564071

COC(=O)c1cccc2cc3ccc(C(F)(F)F)cc3nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
NCS1 P62166 1/20 0.43
HDAC11 Q96DB2 1/20 0.41
PARP1 P09874 1/20 0.40
SORT1 Q99523 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FGFR4 P22455 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
SDHB P21912 1/20 0.38
DYRK1A Q13627 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7572756 0.84 ALDH1A1 (0.45) KDM4EKMT2AGAAMRGPRX4PARP1
SCHEMBL27449142 0.83 PARP1 (0.57) PARP1
Methane SCHEMBL8598912 0.83 ALDH1A1 (0.44) KDM4EKMT2AGAAMRGPRX4HDAC11
SCHEMBL7030506 0.81 KDM4E (0.56) CFTRKDM4EKMT2AGAAATM
SCHEMBL2442682 0.81 KDM4E (0.47) CFTRKDM4EKMT2AGAAATM
SCHEMBL7570787 0.81 ABCG2 (0.49) MAPTKDM4EKMT2AGAAATM
SCHEMBL7024935 0.78 AOX1 (0.66) KDM4EGAAMRGPRX4PARP1ALDH1A1
SCHEMBL27419114 0.78 ALDH1A1 (0.51) MAPTKDM4EKMT2AGAANCS1
SCHEMBL7565768 0.77 AOX1 (0.44) NCS1HDAC11PARP1FGFR4MAPKAPK2
SCHEMBL7565752 0.76 FGFR4 (0.38) NCS1HDAC11PARP1SORT1FGFR4

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 disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US 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