SCHEMBL20052235

SCHEMBL20052235

CC(C)(C)Cc1cn(N)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
DAO P14920 2/20 0.35
CRBN Q96SW2 1/20 0.33
MAPK1 P28482 1/20 0.33
TK1 P04183 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17041835 0.81 TDP1 (0.53) TDP1DAOCRBNMAPK1TK1
SCHEMBL29224874 0.75 TDP1 (0.47) TDP1DAOCRBNMAPK1SMN1; SMN2
SCHEMBL18870686 0.72 TDP1 (0.52) TDP1DAOCRBN
SCHEMBL29135925 0.71 TDP1 (0.47) TDP1DAOCRBN
SCHEMBL646139 0.70 TDP1 (0.59) TDP1CRBNMAPK1TK1
SCHEMBL17040216 0.68 TDP1 (0.52) TDP1DAOCRBNSMN1; SMN2
SCHEMBL21283036 0.68 TDP1 (0.43) TDP1DAOCRBNSMN1; SMN2
SCHEMBL8303043 0.67 TDP1 (0.45) TDP1DAOCRBN
SCHEMBL18871230 0.66 TDP1 (0.41) TDP1DAO
SCHEMBL21283135 0.66 MAPK1 (0.33) TDP1DAOMAPK1TK1SMN1; 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
US-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 US disclosed