SCHEMBL31663343

SCHEMBL31663343

CC(C)(C)[Si](C)(C)OCc1cc2ccc(C#N)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.42
NR3C2 P08235 6/20 0.42
PGR P06401 5/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
ITK Q08881 1/20 0.39
RET P07949 1/20 0.37
CSNK1D P48730 4/20 0.37
CSNK1A1 P48729 3/20 0.37
GSK3B P49841 3/20 0.37
CSNK1G2 P78368 3/20 0.37
CYP2D6 P10635 1/20 0.36
CFB P00751 2/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34

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
SCHEMBL14745382 0.80 NOS1 (0.34) ITK
SCHEMBL29595819 0.78 LOXL2 (0.47)
SCHEMBL15717620 0.78 LOXL2 (0.47)
SCHEMBL31663239 0.78 LOXL2 (0.36)
SCHEMBL14745216 0.78 PGK1 (0.34)
SCHEMBL9056119 0.74 DRD2 (0.51) NR3C1NR3C2PGRDRD2DRD4
SCHEMBL4512050 0.74 FNTA (0.38) NR3C1NR3C2PGRCSNK1DCSNK1G2
SCHEMBL14745758 0.73 LPL (0.35)
SCHEMBL7677098 0.72 LOXL2 (0.51)
SCHEMBL7442607 0.71 DRD2 (0.51) NR3C1NR3C2PGRDRD2DRD4

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-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed