SCHEMBL17068076

SCHEMBL17068076

CN/N=C(/C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.50
CES1 P23141 9/20 0.50
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11482477 0.86 POLB (0.53) CES2CES1MAPTPOLBGAA
SCHEMBL11482485 0.86 POLB (0.53) CES2CES1MAPTPOLBGAA
SCHEMBL11572214 0.86 POLB (0.53) CES2CES1MAPTPOLBGAA
SCHEMBL9917542 0.78 MAPT (0.53) CES2CES1MAPTGAACYP2C19
SCHEMBL31621295 0.77 ALDH1A1 (0.61) CES2CES1MAPTPOLBGAA
SCHEMBL8225946 0.76 GAA (0.37) MAPTPOLBGAACYP2C19TSHR
Benzil SCHEMBL5372731 0.75 CES2 (0.78) CES2CES1MAPTTSHRALDH1A1
SCHEMBL4353902 0.74 GAA (0.65) CES2CES1MAPTPOLBGAA
SCHEMBL12997589 0.74 GAA (0.65) CES2CES1MAPTPOLBGAA
Benzil SCHEMBL9473091 0.73 CES2 (0.74) CES2CES1MAPTTSHRALDH1A1

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-20150252235-A1 UV-CURABLE SILICONE ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-10 US disclosed