SCHEMBL4901405

SCHEMBL4901405

COc1ccccc1CNC(C)N(C(C)NCc1ccccc1OC)C(C)NCc1ccccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ATM Q13315 1/20 0.61
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.51
CHRM2 P08172 8/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
BCHE P06276 4/20 0.50
ACHE P22303 4/20 0.50
TP53 P04637 1/20 0.50
CHRM4 P08173 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM5 P08912 1/20 0.50

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
SCHEMBL9965797 0.84 ATM (0.67) L3MBTL1ATMALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL841799 0.82 ATM (0.65) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL9416002 0.81 ATM (0.63) L3MBTL1ATMALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL11350503 0.78 ATM (0.59) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL13995684 0.78 ATM (0.59) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL3670110 0.78 ATM (0.73) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL3670113 0.78 ATM (0.73) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL20988035 0.77 ATM (0.63) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL13257870 0.76 ATM (0.56) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL5695121 0.75 ALDH1A1 (0.79) ALDH1A1GAAMAPTKDM4EPOLB

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
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed