SCHEMBL31311408

SCHEMBL31311408

O=C(CN1CCC2(CC1)CCN(C(=O)c1c(F)cc(-c3ccccc3)cc1F)CC2)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.69
▸ TNKS O95271 1/20 0.63
▸ TNKS2 Q9H2K2 1/20 0.63

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
SCHEMBL31312045 0.89 PARP1 (0.74) PARP1TNKSTNKS2
SCHEMBL31311620 0.88 PARP1 (0.65) PARP1TNKSTNKS2
SCHEMBL31311648 0.84 PARP1 (0.69) PARP1TNKSTNKS2
SCHEMBL31312271 0.84 PARP1 (0.69) PARP1TNKSTNKS2
SCHEMBL31311424 0.84 PARP1 (0.71) PARP1TNKSTNKS2
SCHEMBL31312032 0.84 PARP1 (0.61) PARP1TNKSTNKS2
SCHEMBL31312356 0.84 PARP1 (0.63) PARP1TNKSTNKS2
SCHEMBL31311495 0.84 PARP1 (0.77) PARP1
SCHEMBL31312245 0.84 PARP1 (0.63) PARP1TNKSTNKS2
SCHEMBL31311831 0.83 PARP1 (0.69) PARP1TNKSTNKS2

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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