SCHEMBL23401322

SCHEMBL23401322

Cc1c(O)nn(CC(C)C)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
APAF1 O14727 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
SCHEMBL23399776 0.82
SCHEMBL23401006 0.79 ADORA2A (0.32)
SCHEMBL23401366 0.79
SCHEMBL23399126 0.79 SMN1; SMN2 (0.39) SMN1; SMN2APAF1
SCHEMBL23403692 0.78 FFAR1 (0.34)
SCHEMBL23399089 0.77 APAF1 (0.44) SMN1; SMN2APAF1
SCHEMBL23401919 0.77
SCHEMBL23401630 0.76 CNR1 (0.33)
SCHEMBL23402310 0.75 APAF1 (0.33) SMN1; SMN2APAF1
SCHEMBL23399449 0.74 SMN1; SMN2 (0.34) SMN1; SMN2APAF1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed