SCHEMBL27909329

SCHEMBL27909329

CC(C)(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.64

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
SCHEMBL27909432 0.91 PARP1 (0.65) PARP1
SCHEMBL27892324 0.91 PARP1 (0.60) PARP1
SCHEMBL27892325 0.88 PARP1 (0.61) PARP1
SCHEMBL28801214 0.88 PARP1 (0.65) PARP1
SCHEMBL15204429 0.87 PARP1 (0.62) PARP1
SCHEMBL27892306 0.86 PARP1 (0.67) PARP1
SCHEMBL27892313 0.85 PARP1 (0.74) PARP1
SCHEMBL27909341 0.85 PARP1 (0.74) PARP1
SCHEMBL27892316 0.85 PARP1 (0.74) PARP1
SCHEMBL27892329 0.84 PARP1 (0.68) 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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