SCHEMBL25936331

SCHEMBL25936331

CS(=O)(=O)OC[C@H]1C[C@H](COc2ccc(C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.44
SCN9A Q15858 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL25936546 1.00 AR (0.44) ARSCN9ADPP4
SCHEMBL25930140 0.87 AR (0.44) ARSCN9A
SCHEMBL25930356 0.87 AR (0.41) AR
SCHEMBL25930151 0.87 AR (0.44) ARSCN9A
SCHEMBL25930150 0.87 AR (0.44) ARSCN9A
SCHEMBL25930359 0.87 AR (0.41) AR
SCHEMBL30493233 0.87 AR (0.44) ARSCN9A
SCHEMBL25329148 0.86 AR (0.44) ARSCN9A
SCHEMBL25930155 0.85 AR (0.46) AR
SCHEMBL25330997 0.84 AR (0.46) ARSCN9A

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed