SCHEMBL27355402

SCHEMBL27355402

CC(C)(C)OC(=O)NCCOCCOc1cc(CC(N)=O)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
ITK Q08881 1/20 0.44
BCHE P06276 2/20 0.42
CNR2 P34972 2/20 0.42
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SCN9A Q15858 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
PARP1 P09874 1/20 0.40
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BUB1 O43683 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
SCHEMBL27355404 0.79 CXCL12 (0.38) CA2KDM4E
SCHEMBL12518688 0.78 EGFR (0.53) EGFRITKBCHECNR2ADRB2
SCHEMBL25815777 0.77 EGFR (0.47) EGFRITKBCHECNR2ADRB2
SCHEMBL28710981 0.76 L3MBTL1 (0.46)
SCHEMBL926197 0.75 SCN9A (0.46) EGFRITKCA12CA1CA2
SCHEMBL25815595 0.74 EGFR (0.51) EGFRITKBCHECNR2ADRB2
SCHEMBL3686366 0.74 GRM2 (0.48)
SCHEMBL1667818 0.74 BCHE (0.44) EGFRITKBCHECNR2ADRB2
SCHEMBL13883179 0.74 BCHE (0.47) EGFRITKBCHECNR2ADRB2
SCHEMBL31500921 0.73 TTR (0.50) CA12CA1CA2CA9SCN9A

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-2024006742-A2 NRF2 PROTEIN DEGRADERS DRACEN PHARMACEUTICALS, INC. (US) 2024-01-04 WO disclosed