SCHEMBL2499648

SCHEMBL2499648

CN(C)c1cccc(COC(=O)CN(C)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SCN9A Q15858 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL10787316 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL10788282 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL6498651 0.79 MAPT (0.51) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL246966 0.78 ALDH1A1 (0.45) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL557889 0.76 SMN1; SMN2 (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL7385966 0.75 ALDH1A1 (0.51) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL29079447 0.75 ALDH1A1 (0.63) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL11075711 0.74 ALDH1A1 (0.47) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL11228033 0.74 MEN1 (0.41) ALDH1A1L3MBTL1KMT2ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7150239 0.74 SMN1; SMN2 (0.54) ALDH1A1MAPTKMT2AKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550303-A1 PROCESS FOR THE PRODUCTION OF RUBBER IONOMERS AND POLYMER NANOCOMPOSITES LANXESS International SA (CH) 2013-01-30 EP disclosed
WO-2011117277-A1 PROCESS FOR THE PRODUCTION OF RUBBER IONOMERS AND POLYMER NANOCOMPOSITES LANXESS INTERNATIONAL SA (CH) 2011-09-29 WO disclosed