SCHEMBL29027009

SCHEMBL29027009

CC(C)(C)OC(=O)c1cnc2c(c1)C(F)(F)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
PDK2 Q15119 1/20 0.33
MET P08581 1/20 0.32
GABRA1 P14867 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA2 P47869 4/20 0.32
GABRA4 P48169 3/20 0.32
GABRA6 Q16445 3/20 0.32
ALOX15 P16050 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRE P78334 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL30505940 1.00 CRBN (0.38) CRBNPDK2METGABRA1GABRG2
SCHEMBL29746895 0.85 MAPK1 (0.40) CRBNPDK2CA12CA1CA2
SCHEMBL24401254 0.85 MAPK1 (0.40) CRBNPDK2CA12CA1CA2
SCHEMBL29746865 0.79 HCAR2 (0.36)
SCHEMBL24401253 0.79 HCAR2 (0.36)
SCHEMBL2132762 0.69 GABRG2 (0.41) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL27974850 0.69 GABRA1 (0.35) CRBNMETGABRA1GABRG2GABRB3
SCHEMBL5385127 0.67 CA12 (0.38) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL27432514 0.67 GABRA1 (0.39) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL21094068 0.66 TDP1 (0.39) METGABRA1GABRG2GABRB3GABRA5

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
CN-116375683-A Diazole derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-04 CN disclosed