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Sugi Predict / Compounds / SCHEMBL31311818

SCHEMBL31311818

SCHEMBL31311818

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(CC23CCC(C(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)(CC2)CO3)CC1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.55
▸ TNKS O95271 3/20 0.55
▸ TNKS2 Q9H2K2 3/20 0.55
▸ PRAP1 Q96NZ9 1/20 0.51

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
SCHEMBL31311736 0.89 PARP1 (0.65) PARP1TNKSTNKS2PRAP1
SCHEMBL31311587 0.88 PARP1 (0.54) PARP1TNKSTNKS2
SCHEMBL31312476 0.88 PARP1 (0.58) PARP1TNKSTNKS2
SCHEMBL31312217 0.87 PARP1 (0.53) PARP1TNKSTNKS2
SCHEMBL31311665 0.86 PARP1 (0.49) PARP1TNKSTNKS2
SCHEMBL31312289 0.83 PARP1 (0.62) PARP1TNKSTNKS2PRAP1
SCHEMBL31311412 0.83 PARP1 (0.57) PARP1TNKSTNKS2PRAP1
SCHEMBL31311953 0.83 PARP1 (0.59) PARP1TNKSTNKS2PRAP1
SCHEMBL31311382 0.83 PARP1 (0.59) PARP1TNKSTNKS2
SCHEMBL31312488 0.83 PARP1 (0.59) 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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