SCHEMBL20204848

SCHEMBL20204848

C[C@@H]1CN(C(=O)C=S)CC2(CC2)O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21561651 0.73 PDK1 (0.48) SMN1; SMN2
SCHEMBL20204851 0.73 — —
SCHEMBL21561662 0.73 PDK1 (0.48) SMN1; SMN2
SCHEMBL19096933 0.66 OPRM1 (0.39) —
SCHEMBL21561707 0.65 POLB (0.31) —
SCHEMBL19096873 0.62 HPGD (0.50) SMN1; SMN2
SCHEMBL20058423 0.62 ALDH1A1 (0.50) SMN1; SMN2
SCHEMBL17318831 0.62 ALDH1A1 (0.50) SMN1; SMN2
SCHEMBL13565618 0.62 — —
SCHEMBL20671901 0.60 SMN1; SMN2 (0.42) SMN1; SMN2

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-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 — — WO disclosed
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