SCHEMBL27909459

SCHEMBL27909459

O=C(C(=O)C(F)(F)F)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.77

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
SCHEMBL27892327 0.92 PARP1 (0.83) PARP1
SCHEMBL27909306 0.90 PARP1 (0.81) PARP1
SCHEMBL27892319 0.89 PARP1 (0.86) PARP1
SCHEMBL27892342 0.87 PARP1 (0.74) PARP1
SCHEMBL27909427 0.87 PARP1 (0.83) PARP1
SCHEMBL5130793 0.87 PARP1 (1.00) PARP1
SCHEMBL5121608 0.87 PARP1 (1.00) PARP1
SCHEMBL27909310 0.86 PARP1 (0.83) PARP1
SCHEMBL5121377 0.86 PARP1 (1.00) PARP1
SCHEMBL5131347 0.86 PARP1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102952118-B Poly-(ADP-ribose) AG14361, preparation method and its usage SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2016-03-23 — — CN disclosed
CN-102952118-A Poly(ADP-ribose)polymerase inhibitor, preparation method and application thereof SHANGHAI DINUO MEDICAL TECHNOLOGY CO LTD 2013-03-06 — — CN disclosed
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