SCHEMBL30663278

SCHEMBL30663278

O=c1[nH]c2cc(CN3CCNCC3)cnc2cc1C1CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.65
▸ PARP2 Q9UGN5 2/20 0.44

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
SCHEMBL25605323 0.90 PARP1 (0.67) PARP1PARP2
SCHEMBL25188028 0.81 PARP1 (0.78) PARP1
SCHEMBL24649721 0.81 PARP1 (0.79) PARP1PARP2
SCHEMBL29397527 0.81 PARP1 (0.65) PARP1PARP2
SCHEMBL27169477 0.81 PARP1 (0.65) PARP1PARP2
SCHEMBL25093040 0.80 PARP1 (0.54) PARP1
SCHEMBL24649793 0.80 PARP1 (0.54) PARP1
SCHEMBL25193100 0.80 PARP1 (0.54) PARP1PARP2
SCHEMBL30493567 0.80 PARP1 (0.54) PARP1PARP2
SCHEMBL26451092 0.80 PARP1 (0.57) PARP1PARP2

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-117177972-A PARP1 inhibitors and uses thereof 新特拉有限公司 2023-12-05 — — CN disclosed
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