SCHEMBL7572956

SCHEMBL7572956

Cc1cccc2cc3cccc(C(N)=O)c3nc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.61
CD38 P28907 4/20 0.51
CYP3A4 P08684 2/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL27417062 0.88 PARP1 (0.62) PARP1CD38CYP3A4KCNH2KDM4E
SCHEMBL5459806 0.85 ALDH1A1 (0.50) PARP1CYP3A4KDM4EALDH1A1
SCHEMBL29923361 0.83 PARP1 (0.61) PARP1CD38CYP3A4KCNH2KDM4E
SCHEMBL4961753 0.83 PARP1 (0.61) PARP1CD38CYP3A4KCNH2KDM4E
SCHEMBL27449613 0.81 PARP1 (0.55) PARP1CD38CYP3A4KCNH2KDM4E
SCHEMBL27416308 0.81 PARP1 (0.61) PARP1CD38KDM4EALDH1A1GAA
SCHEMBL7564139 0.80 PARP1 (0.53) PARP1CD38CYP3A4KCNH2ALDH1A1
SCHEMBL27539104 0.80 PARP1 (0.53) PARP1CD38KDM4EALDH1A1GAA
SCHEMBL27448687 0.80 PARP1 (0.53) PARP1CD38KDM4EALDH1A1GAA
SCHEMBL27419112 0.80 PARP1 (0.53) PARP1CD38CYP3A4KDM4EALDH1A1

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
CN-1116285-C Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2003-07-30 CN claimed
CN-1116285-C Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2003-07-30 CN disclosed
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
CN-1240430-A Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2000-01-05 CN disclosed