SCHEMBL17035691

SCHEMBL17035691

C/C=C/c1cn(C)c(=O)n(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.33
ESRRA P11474 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.32
PIK3CD O00329 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 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
SCHEMBL3078617 0.79 ERN1 (0.47) ERN1LMNATSHRHTTSMN1; SMN2
SCHEMBL16882893 0.78 HDAC3 (0.35) ERN1LMNATSHRHTTSMN1; SMN2
SCHEMBL9602133 0.77 MAOB (0.49) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL9602125 0.77 MAOB (0.49) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL566202 0.70 GAA (0.43) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL480683 0.66 LMNA (0.39) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL3189250 0.66 TSHR (0.44) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL1689852 0.66 LMNA (0.39) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL3806350 0.66 ERN1 (0.42) ERN1LMNATSHRHTTSMN1; SMN2
SCHEMBL9832018 0.65 POLB (0.43) LMNATSHRHTTSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416403-B2 Method of detecting target nucleic acid TORAY INDUSTRIES, INC. (JP) 2016-08-16 US disclosed
US-20150240296-A1 METHOD OF DETECTING TARGET NUCLEIC ACID TORAY INDUSTRIES, INC. (JP) 2015-08-27 US disclosed