SCHEMBL16645828

SCHEMBL16645828

NC(=O)c1cccc2cn(-c3ccc4c(c3)OCO4)nc12

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.63
PARP2 Q9UGN5 13/20 0.63
PARP3 Q9Y6F1 13/20 0.63

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
SCHEMBL16635316 0.93 PARP1 (0.63) PARP1PARP2PARP3
SCHEMBL16635490 0.91 PARP1 (0.61) PARP1PARP2PARP3
SCHEMBL16645831 0.91 PARP1 (0.61) PARP1PARP2PARP3
SCHEMBL16645834 0.90 PARP1 (0.60) PARP1PARP2PARP3
SCHEMBL16645829 0.90 PARP1 (0.60) PARP1PARP2PARP3
SCHEMBL16645833 0.90 PARP1 (0.60) PARP1PARP2PARP3
SCHEMBL16645835 0.86 PARP1 (0.55) PARP1PARP2PARP3
SCHEMBL16645841 0.85 PARP1 (0.54) PARP1PARP2PARP3
SCHEMBL16645832 0.82 PARP1 (0.61) PARP1PARP2PARP3
SCHEMBL16645719 0.79 KDM4E (0.53) PARP1PARP2PARP3

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
WO-2015051766-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY (ADP-RIBOSE) POLYMERASE INHIBITORS BETTA PHARMACEUTICALS CO., LTD (CN) 2015-04-16 WO disclosed