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Sugi Predict / Compounds / SCHEMBL76765

SCHEMBL76765

SCHEMBL76765

COC1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4cccc(Cl)c34)c2)CC1.O=C(O)c1cccc(Cc2n[nH]c(=O)c3cccc(Cl)c23)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.59
▸ PRAP1 Q96NZ9 1/20 0.55

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
SCHEMBL4180487 0.97 PARP1 (0.62) PARP1PRAP1
SCHEMBL79091 0.89 PARP1 (0.54) PARP1PRAP1
SCHEMBL3667341 0.89 PARP1 (0.65) PARP1
SCHEMBL87179 0.87 PARP1 (0.57) PARP1PRAP1
SCHEMBL77530 0.85 PARP1 (0.75) PARP1PRAP1
SCHEMBL77774 0.84 PARP1 (0.74) PARP1PRAP1
SCHEMBL87503 0.84 PARP1 (0.79) PARP1PRAP1
SCHEMBL86935 0.83 PARP1 (0.56) PARP1
SCHEMBL77975 0.82 PARP1 (0.51) PARP1PRAP1
SCHEMBL79722 0.81 PARP1 (0.57) PARP1PRAP1

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
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 — — US disclosed