SCHEMBL14938579

SCHEMBL14938579

O=C(O)NN=C1CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.69
HTT P42858 1/20 0.69
MAPT P10636 13/20 0.67
RAB9A P51151 10/20 0.65
NPC1 O15118 7/20 0.65
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
GAA P10253 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 1/20 0.63
TP53 P04637 1/20 0.63
POLB P06746 1/20 0.59

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
SCHEMBL4734168 0.86 SMN1; SMN2 (0.80) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL4734171 0.86 SMN1; SMN2 (0.80) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL20520189 0.86 SMN1; SMN2 (0.80) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL4554299 0.84 SMN1; SMN2 (0.67) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL14938472 0.81 SMN1; SMN2 (0.64) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL23678214 0.80 SMN1; SMN2 (0.68) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL20205815 0.80 SMN1; SMN2 (0.68) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL23658108 0.80 SMN1; SMN2 (0.61) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL7449894 0.79 SMN1; SMN2 (0.74) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL17206744 0.79 SMN1; SMN2 (0.74) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1

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-2013067646-A1 PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS UNIVERSITY OF OTTAWA (CA) 2013-05-16 WO disclosed