SCHEMBL27892316

SCHEMBL27892316

CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CCN1C(=O)C(=O)C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.74

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
SCHEMBL27909341 1.00 PARP1 (0.74) PARP1
SCHEMBL27892313 1.00 PARP1 (0.74) PARP1
SCHEMBL27909345 0.91 PARP1 (0.75) PARP1
SCHEMBL27892326 0.91 PARP1 (0.75) PARP1
SCHEMBL27892328 0.91 PARP1 (0.75) PARP1
SCHEMBL28801210 0.89 PARP1 (0.74) PARP1
SCHEMBL27892341 0.89 PARP1 (0.74) PARP1
SCHEMBL27892343 0.89 PARP1 (0.74) PARP1
SCHEMBL27892327 0.89 PARP1 (0.83) PARP1
SCHEMBL28801215 0.88 PARP1 (0.73) 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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