SCHEMBL25908208

SCHEMBL25908208

CC(C)[C@H]1CN1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IDH1 O75874 1/20 0.30
ACHE P22303 1/20 0.30
TSHR P16473 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
SCHEMBL24377521 0.79 TP53 (0.37) TP53ALDH1A1IDH1TSHR
SCHEMBL7127280 0.78 PIK3CD (0.31) PIK3CD
SCHEMBL7127272 0.78 PIK3CD (0.31) PIK3CD
SCHEMBL24377761 0.75 TP53 (0.34) TP53ALDH1A1IDH1
SCHEMBL13553448 0.73 PER2 (0.44) TP53ALDH1A1IDH1ACHETSHR
SCHEMBL13218347 0.73 PER2 (0.44) TP53ALDH1A1IDH1ACHETSHR
SCHEMBL4407319 0.73
SCHEMBL4407323 0.73
SCHEMBL13553452 0.72 PER2 (0.46) TP53ALDH1A1ACHETSHR
SCHEMBL7127277 0.72 ALDH1A1 (0.34) ALDH1A1

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-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed