SCHEMBL30728501

SCHEMBL30728501

CC(C)(C)OC(=O)N1CC2(CNS(=O)(=O)c3cccnc3O2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GPR119 Q8TDV5 5/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
DTYMK P23919 1/20 0.35
MAPK1 P28482 1/20 0.34
GRM5 P41594 1/20 0.34
MAPT P10636 1/20 0.34
EIF2AK4 Q9P2K8 2/20 0.34
NR1H2 P55055 1/20 0.33
AKT1 P31749 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
SCD5 Q86SK9 1/20 0.32
KEAP1 Q14145 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
SCHEMBL21745526 1.00 POLB (0.40) POLBGPR119DDB1CRBNDTYMK
SCHEMBL21714074 0.90 POLB (0.43) POLBGPR119DDB1CRBNDTYMK
SCHEMBL21713777 0.84 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL21713421 0.83 ACACB (0.36) GPR119NR1H2KEAP1NFE2L2
SCHEMBL21762118 0.80 POLB (0.40) POLBGPR119DDB1CRBNDTYMK
SCHEMBL21713401 0.76 CA12 (0.33) MAPTKEAP1
SCHEMBL21713863 0.75 EPHX2 (0.35) MAPK1MAPTKEAP1NFE2L2
SCHEMBL22945801 0.75 POLB (0.43) POLBGPR119DDB1CRBNDTYMK
SCHEMBL21745091 0.74 POLB (0.43) POLBGPR119DTYMKMAPK1GRM5
SCHEMBL21713916 0.74 CA12 (0.32) KEAP1NFE2L2

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-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed