SCHEMBL16635588

SCHEMBL16635588

NC(=O)c1cccc2cn(-c3cc[c]cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.77
PARP2 Q9UGN5 13/20 0.77
PARP3 Q9Y6F1 13/20 0.77

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
SCHEMBL1422404 0.87 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL4766624 0.85 PARP1 (0.71) PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL27738209 0.84 PARP1 (0.94) PARP1PARP2PARP3
SCHEMBL2264036 0.84 PARP1 (0.79) PARP1PARP2PARP3
SCHEMBL23598274 0.83 PARP1 (0.77) PARP1PARP2PARP3
SCHEMBL2264064 0.83 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL2267025 0.83 PARP1 (0.77) PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL2263931 0.83 PARP1 (0.77) PARP1PARP2PARP3
SCHEMBL2263821 0.82 PARP1 (0.80) PARP1PARP2PARP3
SCHEMBL30157404 0.82 PARP1 (0.76) 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