SCHEMBL30870708

SCHEMBL30870708

CC(C)(C)OC(=O)NC1CC(c2nc3c(c(=O)[nH]2)CSCC3)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
PARP3 Q9Y6F1 2/20 0.45
PARP15 Q460N3 1/20 0.45
TNKS O95271 6/20 0.42
TNKS2 Q9H2K2 6/20 0.42
GAA P10253 1/20 0.38
WNT3A P56704 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
AXIN2 Q9Y2T1 1/20 0.38
BTK Q06187 1/20 0.34
ACHE P22303 1/20 0.33
EPHX2 P34913 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL27443951 1.00 PARP1 (0.45) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL27437229 0.77 PARP1 (0.58) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL27437262 0.75 PARP1 (0.55) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL27436689 0.75 PARP1 (0.55) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL628360 0.71 TNKS (0.44) PARP1TNKSTNKS2GAABTK
SCHEMBL7782055 0.67 PARP1 (0.67) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL22961412 0.64 BTK (0.54) GAABTKEPHX2KMT2AL3MBTL1
SCHEMBL17942077 0.64 EPHX2 (0.45) GAABTKEPHX2KMT2AL3MBTL1
SCHEMBL17950141 0.64 GAA (0.47) GAABTKEPHX2KMT2AL3MBTL1
SCHEMBL17942105 0.64 EPHX2 (0.45) GAABTKEPHX2KMT2AL3MBTL1

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-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 WO disclosed