SCHEMBL25428616

SCHEMBL25428616

CC(C)(C)OC(=O)N1CCc2c(cnc3[nH]cc(I)c23)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ESR2 Q92731 1/20 0.43
NR1H2 P55055 2/20 0.42
ACACB O00763 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN9A Q15858 1/20 0.40
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MKNK1 Q9BUB5 6/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CDK9 P50750 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL30380944 1.00 MAPT (0.45) MAPTESR2NR1H2ACACBMAPK1
SCHEMBL2487129 0.80 MAPT (0.46) MAPTESR2NR1H2ACACBMAPK1
SCHEMBL30381411 0.78 JAK1 (0.48) MAPTESR2NR1H2ACACBMAPK1
SCHEMBL25307616 0.78 JAK1 (0.48) MAPTESR2NR1H2ACACBMAPK1
SCHEMBL2486452 0.77 NR1H2 (0.51) MAPTESR2NR1H2ACACBMAPK1
SCHEMBL21593127 0.75 MAPT (0.44) MAPTESR2NR1H2ACACBMAPK1
SCHEMBL2487772 0.75 CKS1B (0.46) MAPTESR2NR1H2MAPK1SCN9A
SCHEMBL15779488 0.75 PAK1 (0.53) MAPTESR2NR1H2
SCHEMBL15778873 0.75 NR1H2 (0.51) MAPTESR2NR1H2
SCHEMBL21593128 0.75 NR1H2 (0.53) MAPTESR2NR1H2ACACBMAPK1

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed