SCHEMBL29814946

SCHEMBL29814946

CC(C)(C)N(CCOCCOCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)C(=O)O.NCCOCCOCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.81
▸ TNKS O95271 1/20 0.58
▸ TNKS2 Q9H2K2 1/20 0.58

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
SCHEMBL29814831 0.90 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL23363658 0.90 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL23363517 0.85 PARP1 (0.95) PARP1TNKSTNKS2
SCHEMBL23630708 0.82 PARP1 (0.84) PARP1TNKSTNKS2
SCHEMBL23363411 0.81 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL24620836 0.81 PARP1 (0.79) PARP1TNKSTNKS2
SCHEMBL31311512 0.81 PARP1 (0.81) PARP1TNKSTNKS2
SCHEMBL4554086 0.80 PARP1 (1.00) PARP1
SCHEMBL15397405 0.79 PARP1 (0.84) PARP1TNKSTNKS2
SCHEMBL19569971 0.79 PARP1 (0.90) 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
EP-4058464-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2022-09-21 — — EP disclosed
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