SCHEMBL26128229

SCHEMBL26128229

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.32
▸ TIPARP Q7Z3E1 9/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ PARP16 Q8N5Y8 1/20 0.31
▸ PARP12 Q9H0J9 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PARP4 Q9UKK3 1/20 0.31
▸ PARP3 Q9Y6F1 1/20 0.31

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
SCHEMBL21522146 0.91 TIPARP (0.33) DGAT1TIPARPPARP1CYP2C9PARP14
SCHEMBL21521144 0.91 TIPARP (0.33) DGAT1TIPARPPARP1CYP2C9PARP14
SCHEMBL21521147 0.91 TIPARP (0.33) DGAT1TIPARPPARP1CYP2C9PARP14
SCHEMBL26120938 0.90 TIPARP (0.34) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL26120933 0.90 TIPARP (0.34) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL30813003 0.86 DGAT1 (0.31) DGAT1
SCHEMBL30549252 0.85 TIPARP (0.35) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL30286319 0.85 TIPARP (0.35) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL21521696 0.85 DGAT1 (0.31) DGAT1
SCHEMBL21521697 0.85 DGAT1 (0.31) DGAT1

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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