SCHEMBL10039699

SCHEMBL10039699

CN1CCCC(CNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc3c2OCC3)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 16/20 0.53
▸ HDAC1 Q13547 2/20 0.47
▸ DRD2 P14416 2/20 0.45
▸ PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL10039815 0.88 PARP1 (0.52) PARP1HDAC1PARP2
SCHEMBL10039698 0.87 PARP1 (0.52) PARP1HDAC1PARP2
SCHEMBL10039875 0.81 PARP1 (0.69) PARP1
SCHEMBL10039736 0.81 PARP1 (0.69) PARP1
SCHEMBL10039742 0.79 PARP1 (0.57) PARP1
SCHEMBL10039719 0.78 PARP1 (0.62) PARP1
SCHEMBL10039766 0.78 PARP1 (0.52) PARP1HDAC1
SCHEMBL10039746 0.78 PARP1 (0.63) PARP1PARP2
SCHEMBL10039747 0.77 PARP1 (0.70) PARP1PARP2
SCHEMBL10039695 0.77 PARP1 (0.49) PARP1HDAC1PARP2

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-2012019430-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 — — WO disclosed
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