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SCHEMBL31311599

SCHEMBL31311599

CC(C)(C)C(=O)N1CCC[C@H](c2cccc(C(=O)N[C@@H](C(=O)N3CCC(OC4CCN(CC(=O)N5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)CC4)CC3)C3CCCCC3)c2F)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.52
▸ PRAP1 Q96NZ9 1/20 0.49
▸ TNKS O95271 2/20 0.45
▸ TNKS2 Q9H2K2 2/20 0.45
▸ PARP2 Q9UGN5 2/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ TIPARP Q7Z3E1 1/20 0.45
▸ PARP12 Q9H0J9 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL31311414 1.00 PARP1 (0.52) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31311656 1.00 PARP1 (0.52) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31311562 0.96 PARP1 (0.51) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31312509 0.95 PARP1 (0.51) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31311834 0.95 PARP1 (0.48) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31312310 0.95 PARP1 (0.48) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31311982 0.94 PARP1 (0.50) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31311919 0.94 PARP1 (0.53) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31312101 0.94 PARP1 (0.55) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31312314 0.94 PARP1 (0.52) PARP1PRAP1TNKSTNKS2PARP2

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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