SCHEMBL111071

SCHEMBL111071

C/C=C/C(=O)NCCN(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.37
APEX1 P27695 1/20 0.35
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 3/20 0.32
DNM1 Q05193 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL109610 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2APEX1KDM5AKDM4C
SCHEMBL159564 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2APEX1KDM5AKDM4C
SCHEMBL112128 0.86 ALDH1A1 (0.46) ALDH1A1APEX1KDM5AKDM4CKDM4E
SCHEMBL109196 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL108355 0.82 DNM1 (0.42) ALDH1A1SMN1; SMN2APEX1KDM4EDNM1
SCHEMBL11436694 0.82 DNM1 (0.42) ALDH1A1SMN1; SMN2APEX1KDM4EDNM1
SCHEMBL12417820 0.82 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2APEX1KDM4E
SCHEMBL109865 0.79 ZDHHC20 (0.52) ALDH1A1KDM5AKDM4CKDM4EDNM1
SCHEMBL329290 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2APEX1KDM4EDNM1
SCHEMBL14642043 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2APEX1KMT2AZDHHC20

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-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed