SCHEMBL30416453

SCHEMBL30416453

O=C(O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.73
AR P10275 1/20 0.69

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
SCHEMBL77913 1.00 PARP1 (0.73) PARP1AR
SCHEMBL15218259 0.88 PARP1 (0.69) PARP1AR
SCHEMBL12955528 0.86 PARP1 (0.72) PARP1AR
SCHEMBL12955358 0.85 PARP1 (0.72) PARP1AR
SCHEMBL86935 0.84 PARP1 (0.56) PARP1AR
SCHEMBL30415143 0.84 PARP1 (0.60) PARP1AR
SCHEMBL29007084 0.84 PARP1 (0.60) PARP1AR
SCHEMBL4572851 0.83 PARP1 (0.60) PARP1AR
SCHEMBL13265557 0.83 PARP1 (0.76) PARP1AR
SCHEMBL863462 0.83 AR (1.00) PARP1AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143700-B Phthalazinone compound, and preparation method and application thereof 沈阳药科大学 2024-06-28 CN disclosed
CN-116143700-A Phthalazinone compound, and preparation method and application thereof 沈阳药科大学 2023-05-23 CN disclosed