SCHEMBL31311693

SCHEMBL31311693

CC1(OC2CCN(C(=O)[C@H](NC(=O)c3cccc(C4CCCN(C(=O)C56CC(C5)C6)C4)c3F)C3CCCCC3)CC2)CCN(CC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.49
▸ PRAP1 Q96NZ9 1/20 0.46
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL31312131 0.98 PARP1 (0.47) PARP1PRAP1HDAC1HDAC6PARP2
SCHEMBL31312469 0.95 PARP1 (0.51) PARP1PRAP1HDAC1HDAC6PARP2
SCHEMBL31311770 0.93 PARP1 (0.49) PARP1PRAP1HDAC1HDAC6PARP2
SCHEMBL31311558 0.93 PARP1 (0.50) PARP1PRAP1HDAC1HDAC6PARP2
SCHEMBL31312280 0.92 PARP1 (0.49) PARP1PRAP1PARP2
SCHEMBL31311918 0.91 PARP1 (0.48) PARP1PRAP1
SCHEMBL31311726 0.90 PARP1 (0.52) PARP1PRAP1HDAC1HDAC6PARP2
SCHEMBL31312022 0.89 PARP1 (0.47) PARP1PRAP1PARP2
SCHEMBL31311395 0.89 PARP1 (0.50) PARP1PRAP1HDAC1HDAC6PARP2
SCHEMBL31312023 0.88 PARP1 (0.51) PARP1PRAP1

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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