SCHEMBL31435280

SCHEMBL31435280

COC(=O)c1cc(C#N)c(OC(C)C)cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.49
LMNA P02545 1/20 0.49
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL31435394 0.85 ALDH1A1 (0.46) LMNAMAPK1
SCHEMBL21045683 0.80 TRPC6 (0.49) LMNAMAPK1
SCHEMBL72539 0.80 TRPC6 (0.44) LMNAMAPK1
SCHEMBL20574784 0.77 GAA (0.44) LMNAMAPK1
SCHEMBL19554272 0.75 LMNA (0.55) XDHLMNA
SCHEMBL16224745 0.75 GAA (0.46) LMNAMAPK1
SCHEMBL30488306 0.74 XDH (0.54) XDHLMNAS1PR1S1PR3
SCHEMBL1807138 0.74 XDH (0.54) XDHLMNAS1PR1S1PR3
SCHEMBL24510016 0.73 LMNA (0.43) XDHLMNAMAPK1
SCHEMBL29877503 0.73 AR (0.45) MAPK1

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed