SCHEMBL16796573

SCHEMBL16796573

CCOC(=O)CN(C(=O)OCC)c1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.48
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
POLB P06746 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
SCHEMBL27281765 0.86 NLRP3 (0.45) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL8835734 0.80 ALDH1A1 (0.49) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL24193415 0.76 ALDH1A1 (0.45) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL4773221 0.72 TSHR (0.44) ALDH1A1GAAL3MBTL1KDM4ETDP1
SCHEMBL11162092 0.72 KDM4E (0.42) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL18055614 0.71 TDP1 (0.53) ALDH1A1GAAMAPTKDM4ETDP1
SCHEMBL7219075 0.71 NLRP3 (0.55) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL10712041 0.71 ALDH1A1 (0.40) NLRP3ALDH1A1GAAL3MBTL1TDP1
SCHEMBL120324 0.70 TSHR (0.67) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL28752423 0.70 ALDH1A1 (0.42) NLRP3ALDH1A1GAAL3MBTL1MAPT

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
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed