SCHEMBL28516633

SCHEMBL28516633

CN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
PARP3 Q9Y6F1 1/20 0.76

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
SCHEMBL16190383 0.96 PARP1 (1.00) PARP1PARP3
SCHEMBL30293115 0.93 PARP1 (0.89) PARP1PARP3
SCHEMBL19569971 0.92 PARP1 (0.90) PARP1PARP3
SCHEMBL30331782 0.91 PARP1 (0.84) PARP1PARP3
SCHEMBL19914129 0.91 PARP1 (0.84) PARP1PARP3
SCHEMBL9285979 0.90 PARP1 (0.86) PARP1PARP3
SCHEMBL17173535 0.89 PARP1 (1.00) PARP1PARP3
SCHEMBL10091980 0.89 PARP1 (1.00) PARP1PARP3
SCHEMBL28509162 0.89 PARP1 (0.81) PARP1PARP3
SCHEMBL30331719 0.88 PARP1 (0.80) PARP1PARP3

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
CN-108164468-B PARP inhibitor, pharmaceutical composition, preparation method and application thereof 上海卫岑医药科技有限公司 2021-02-02 CN disclosed