SCHEMBL27449142

SCHEMBL27449142

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.57
RPS6KB1 P23443 5/20 0.43
AURKA O14965 3/20 0.43
AURKB Q96GD4 2/20 0.43

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 0.88 ALDH1A1 (0.45) PARP1
Methane SCHEMBL8598912 0.86 ALDH1A1 (0.44) PARP1
SCHEMBL7564071 0.83 CFTR (0.49) PARP1
SCHEMBL27449612 0.82 PARP1 (0.51) PARP1RPS6KB1AURKAAURKB
SCHEMBL30661004 0.79 IKBKB (0.60) PARP1
SCHEMBL461849 0.79 IKBKB (0.60) PARP1
SCHEMBL27449144 0.79 PARP1 (0.51) PARP1
SCHEMBL27418513 0.79 PARP1 (0.51) PARP1RPS6KB1AURKA
Hydrochloric Acid SCHEMBL31161184 0.78 IKBKB (0.58) PARP1
SCHEMBL28276351 0.78 IKBKB (0.58) PARP1

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 3 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
CN-1240430-A Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2000-01-05 CN disclosed