SCHEMBL1497883

SCHEMBL1497883

CC(O)Nc1cnn(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.39
MAOA P21397 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
AXL P30530 1/20 0.35
LRRK2 Q5S007 2/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
MAP3K5 Q99683 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CDK19 Q9BWU1 2/20 0.33
ALK Q9UM73 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
KDM1A O60341 2/20 0.33

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
SCHEMBL17108536 0.83 AXL (0.47) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL19557890 0.78 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL23634057 0.74 SMN1; SMN2 (0.41) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL30074920 0.74 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL25346714 0.74 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL25346712 0.74 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL25347978 0.73 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL25347971 0.73 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL14801283 0.73 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL25134587 0.72 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013160357-A2 DYEING PROCESS USING A MIXTURE COMPRISING A SILICA OR AN INSOLUBLE SILICATE, OBTAINED FROM AN AEROSOL DEVICE AND DEVICE L'OREAL (FR) 2013-10-31 WO disclosed
WO-2013160360-A1 HAIR DYEING PROCESS USING A MIXTURE COMPRISING A PARTICULAR CATIONIC POLYMER, OBTAINED FROM AN AEROSOL DEVICE L'OREAL (FR) 2013-10-31 WO disclosed
EP-2473152-A2 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A SPECIFIC MINERAL AND/OR ORGANIC ALKALINE AGENT, A SPECIFIC COMPOUND (I) AND A SPECIFIC ORGANIC COMPOUND (II), AND USE THEREOF IN DYEING L'Oréal (FR) 2012-07-11 EP disclosed
WO-2011027077-A2 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A SPECIFIC MINERAL AND/OR ORGANIC ALKALINE AGENT, A SPECIFIC COMPOUND (I) AND A SPECIFIC ORGANIC COMPOUND (II), AND USE THEREOF IN DYEING L'OREAL (FR) 2011-03-10 WO disclosed
WO-2011027076-A2 DYEING METHOD CONSISTING IN APPLYING A METALLIC SALT AND A COMPOSITION CONTAINING A HYDROPHOBIC DYE AND A SPECIFIC COMPOUND L'OREAL (FR) 2011-03-10 WO disclosed