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Sugi Predict / Compounds / SCHEMBL77975

SCHEMBL77975

SCHEMBL77975

CCOC1CCN(C(=O)c2cc(F)cc(Cc3n[nH]c(=O)c4cccc(Cl)c34)c2)CC1.O=C(O)c1cc(F)cc(Cc2n[nH]c(=O)c3cccc(Cl)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.51
▸ PRAP1 Q96NZ9 1/20 0.46

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
SCHEMBL87270 0.97 PARP1 (0.53) PARP1PRAP1
SCHEMBL79091 0.93 PARP1 (0.54) PARP1PRAP1
SCHEMBL87179 0.89 PARP1 (0.57) PARP1PRAP1
SCHEMBL3667341 0.88 PARP1 (0.65) PARP1
SCHEMBL78534 0.84 PARP1 (0.63) PARP1PRAP1
SCHEMBL87268 0.83 PARP1 (0.67) PARP1PRAP1
SCHEMBL86938 0.83 PARP1 (0.49) PARP1
SCHEMBL76765 0.82 PARP1 (0.59) PARP1PRAP1
SCHEMBL4180487 0.80 PARP1 (0.62) PARP1PRAP1
SCHEMBL79291 0.77 PARP1 (0.78) 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
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 — — US disclosed