SCHEMBL19451925

SCHEMBL19451925

C=CCC(=O)NOC(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 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
SCHEMBL2608296 0.71
SCHEMBL11773601 0.71
SCHEMBL8436115 0.71
SCHEMBL12847374 0.70 CTSD (0.50) MEN1KMT2AMAPT
SCHEMBL2185277 0.70 MAPT (0.37) TSHRMAPTCACNA1BAPBA1
SCHEMBL5138203 0.69
SCHEMBL28718766 0.68 ALDH1A1 (0.41) TDP1TSHRMAPT
SCHEMBL103350 0.67
SCHEMBL700525 0.67
SCHEMBL207281 0.67

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-2017174995-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2017-10-12 WO disclosed