SCHEMBL25811127

SCHEMBL25811127

CC1(C)OB(c2ccc3c(c2)NCNC3=O)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.37
LIPG Q9Y5X9 11/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CSF1R P07333 1/20 0.34
BACE1 P56817 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ROCK1 Q13464 1/20 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
SCHEMBL12077888 0.89 LPL (0.37) LPLLIPGPRMT5WDR77CA1
SCHEMBL12077092 0.83 NPC1 (0.34) LPLLIPGPRMT5WDR77CA1
SCHEMBL12077094 0.83 NPC1 (0.34) LPLLIPGPRMT5WDR77CA1
SCHEMBL274197 0.78 ROCK1 (0.43) LPLLIPGPRMT5WDR77CA9
SCHEMBL4853578 0.77 ACVR1 (0.49) LPLLIPGCSF1RROCK1
SCHEMBL30720809 0.76 PARP10 (0.54)
SCHEMBL12078315 0.76 CDC7 (0.39) LPLLIPGPRMT5WDR77CA1
SCHEMBL1636716 0.76 PARP10 (0.54)
SCHEMBL30926385 0.76 CDC7 (0.39) LPLLIPGPRMT5WDR77CA1
SCHEMBL29609304 0.75 CLK4 (0.44) LPLLIPGPRMT5WDR77CA1

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
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed