SCHEMBL30104883

SCHEMBL30104883

CC#CSC1=C(Br)C(=O)OC1OC

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.30
IGF1R P08069 1/20 0.30
MET P08581 1/20 0.30
SRC P12931 1/20 0.30
AXL P30530 1/20 0.30
KDR P35968 1/20 0.30
NEK2 P51955 1/20 0.30
PTK2 Q05397 1/20 0.30
AURKB Q96GD4 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL30104877 0.79 NUAK1 (0.35) NUAK1IGF1RMETSRCAXL
SCHEMBL30104878 0.75 NUAK1 (0.33) NUAK1IGF1RMETSRCAXL
SCHEMBL30104860 0.71 NUAK1 (0.30) NUAK1IGF1RMETSRCAXL
SCHEMBL28400595 0.69 NUAK1 (0.38) NUAK1IGF1RMETSRCAXL
SCHEMBL30104826 0.69 G6PD (0.32)
SCHEMBL30104902 0.67 S100A4 (0.37)
SCHEMBL30104856 0.61 ALDH1A1 (0.35)
SCHEMBL30104851 0.61 KMT2A (0.35)
SCHEMBL30104880 0.61 NUAK1 (0.35) NUAK1IGF1RMETSRCAXL
SCHEMBL30868879 0.59

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583927-B Thioether compound, and preparation method and application thereof 华南师范大学 2024-07-12 CN disclosed
CN-115583927-A Thioether compound and preparation method and application thereof 华南师范大学 2023-01-10 CN disclosed