SCHEMBL10039889

SCHEMBL10039889

C[C@]1(C(=O)N2CCN(C(=O)c3c(F)c(Cc4n[nH]c(=O)c5ccccc45)cc4c3OCC4)CC2)CCCN1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.49
▸ PARP3 Q9Y6F1 1/20 0.42

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
SCHEMBL10039881 0.87 PARP1 (0.51) PARP1
SCHEMBL10039713 0.87 PARP1 (0.52) PARP1
SCHEMBL10039884 0.86 PARP1 (0.56) PARP1PARP3
SCHEMBL10039744 0.85 PARP1 (0.61) PARP1
SCHEMBL10039738 0.85 PARP1 (0.61) PARP1
SCHEMBL10039819 0.85 PARP1 (0.61) PARP1
SCHEMBL10039891 0.83 PARP1 (0.48) PARP1
SCHEMBL10039882 0.83 PARP1 (0.55) PARP1
SCHEMBL10039883 0.82 PARP1 (0.47) PARP1
SCHEMBL10039715 0.82 PARP1 (0.47) 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 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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