SCHEMBL9295951

SCHEMBL9295951

N#CN=C1SCCN1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRNA7 P36544 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4B Q07343 16/20 0.41
PDE4D Q08499 7/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9295945 1.00 MEN1 (0.45) MEN1KMT2ACHRNA7TDP1PDE4B
SCHEMBL10980678 0.78 MEN1 (0.50) MEN1KMT2ACHRNA7TDP1PDE4B
SCHEMBL10980676 0.78 MEN1 (0.50) MEN1KMT2ACHRNA7TDP1PDE4B
SCHEMBL13684621 0.76 MEN1 (0.49) MEN1KMT2ACHRNA7TDP1PDE4B
SCHEMBL25003079 0.72 MEN1 (0.66) MEN1KMT2ACHRNA7TDP1PDE4B
SCHEMBL9818814 0.72 MEN1 (0.66) MEN1KMT2ACHRNA7TDP1PDE4B
SCHEMBL9818810 0.72 MEN1 (0.66) MEN1KMT2ACHRNA7TDP1PDE4B
SCHEMBL3222391 0.70
SCHEMBL11033144 0.70
SCHEMBL6810918 0.70 MEN1 (0.49) MEN1KMT2ACHRNA7TDP1PDE4B

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
US-5326776-A Tetrazoles ABBOTT LABORATORIES (US) 1994-07-05 US disclosed