SCHEMBL30549252

SCHEMBL30549252

CC(=O)NOC[C@H](C)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 20/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ PARP16 Q8N5Y8 1/20 0.35
▸ PARP12 Q9H0J9 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ PARP4 Q9UKK3 1/20 0.35
▸ PARP3 Q9Y6F1 1/20 0.35
▸ HDAC6 Q9UBN7 7/20 0.33
▸ HDAC1 Q13547 6/20 0.33

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
SCHEMBL30286319 1.00 TIPARP (0.35) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL30286360 0.88 TIPARP (0.36) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL30196107 0.87 TIPARP (0.37) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL21522146 0.86 TIPARP (0.33) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL21521147 0.86 TIPARP (0.33) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL21521144 0.86 TIPARP (0.33) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL21520955 0.86 TIPARP (0.41) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL30565547 0.86 TIPARP (0.34) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL21521226 0.86 TIPARP (0.41) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL21521662 0.85 TIPARP (0.41) TIPARPPARP1CYP2C9PARP14PARP16

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-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 — — WO disclosed
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