SCHEMBL3469834

SCHEMBL3469834

CCCNc1ccc(C(c2ccc(NCCC)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.CCNc1ccc(C(c2ccc(NCC)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
PLEC Q15149 1/20 0.42
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 10/20 0.35
HDAC6 Q9UBN7 1/20 0.33
PTGER4 P35408 2/20 0.33
TRPA1 O75762 2/20 0.33
CYP1A2 P05177 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL376223 0.96 KDM4E (0.39) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL29699082 0.96 KDM4E (0.39) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL376030 0.93 MAPT (0.47) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL29540627 0.93 MAPT (0.47) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL29093749 0.92 KDM4E (0.37) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL356336 0.83 L3MBTL1 (0.51) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL28367018 0.81 KDM4E (0.37) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL28991315 0.80 KDM4E (0.36) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL356011 0.80 ALDH1A1 (0.54) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL29049650 0.79 GAA (0.52) KDM4EALDH1A1GAAMAPTGFER

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-2010071758-A1 PERFLUOROELASTOMER COMPOSITIONS INCLUDING BARIUM TITANATE FILLERS GREENE, TWEED OF DELAWARE, INC. (US) 2010-06-24 WO disclosed
WO-2008130557-A1 PERFLUOROELASTOMER COMPOSITIONS AND METHODS OF PREPARING SAME GREENE, TWEED OF DELAWARE, INC. (US) 2008-10-30 WO disclosed