SCHEMBL31311632

SCHEMBL31311632

O=C(N[C@@H](C(=O)N1CCC(OC2CCN(CC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)CC2)CC1)C1CCCCC1)c1cccc(C2CCCN(C(=O)c3ccc(F)cc3F)C2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.51
▸ PRAP1 Q96NZ9 1/20 0.49
▸ TNKS O95271 2/20 0.48
▸ TNKS2 Q9H2K2 2/20 0.48
▸ HDAC1 Q13547 3/20 0.46
▸ PARP2 Q9UGN5 2/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ADORA1 P30542 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ PARP6 Q2NL67 1/20 0.45
▸ PARP15 Q460N3 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ TIPARP Q7Z3E1 1/20 0.45
▸ PARP8 Q8N3A8 1/20 0.45
▸ PARP16 Q8N5Y8 1/20 0.45
▸ PARP12 Q9H0J9 1/20 0.45
▸ PARP11 Q9NR21 1/20 0.45
▸ PARP4 Q9UKK3 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
SCHEMBL31312314 0.94 PARP1 (0.52) PARP1PRAP1TNKSTNKS2HDAC1
SCHEMBL31311919 0.94 PARP1 (0.53) PARP1PRAP1TNKSTNKS2HDAC1
SCHEMBL31311624 0.94 PARP1 (0.55) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31312094 0.94 PARP1 (0.55) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31312406 0.94 PARP1 (0.55) PARP1PRAP1TNKSTNKS2PARP2
SCHEMBL31311735 0.94 PARP1 (0.56) PARP1PRAP1TNKSTNKS2HDAC1
SCHEMBL31311567 0.93 PARP1 (0.55) PARP1PRAP1TNKSTNKS2HDAC1
SCHEMBL31312509 0.93 PARP1 (0.51) PARP1PRAP1TNKSTNKS2HDAC1
SCHEMBL31311686 0.93 PARP1 (0.54) PARP1PRAP1TNKSTNKS2HDAC1
SCHEMBL31311726 0.93 PARP1 (0.52) PARP1PRAP1TNKSTNKS2HDAC1

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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