SCHEMBL23317514

SCHEMBL23317514

C=C[C@@H]1CN(C(C)(C)C)C[C@H](C=C)O1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 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
SCHEMBL19867125 0.82
SCHEMBL19863379 0.75 TDP1 (0.34) TDP1
SCHEMBL19863375 0.75 TDP1 (0.34) TDP1
SCHEMBL19863380 0.75 TDP1 (0.34) TDP1
SCHEMBL13765368 0.67 ATM (0.37) ATM
SCHEMBL15345248 0.65 ATM (0.35) ATM
SCHEMBL22763445 0.65 PDK1 (0.38) ATM
SCHEMBL22763446 0.65 PDK1 (0.38) ATM
SCHEMBL2616437 0.65 PDK1 (0.38) ATM
SCHEMBL11951315 0.65 PDK1 (0.38) ATM

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-2021086966-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2021-05-06 WO disclosed