SCHEMBL31311495

SCHEMBL31311495

O=C(CN1CCCCC1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)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
SCHEMBL19914129 0.91 PARP1 (0.84) PARP1
SCHEMBL30331782 0.91 PARP1 (0.84) PARP1
SCHEMBL19569971 0.90 PARP1 (0.90) PARP1
SCHEMBL31312051 0.90 PARP1 (0.71) PARP1
SCHEMBL15397405 0.88 PARP1 (0.84) PARP1
SCHEMBL15397404 0.88 PARP1 (0.84) PARP1
SCHEMBL30293115 0.88 PARP1 (0.89) PARP1
SCHEMBL31311843 0.88 PARP1 (0.85) PARP1
SCHEMBL23113149 0.87 PARP1 (0.83) PARP1
SCHEMBL31311586 0.87 PARP1 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024264072-A2 PARP INHIBITORS Stablix, Inc. (US) 2024-12-26 — — WO disclosed
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