SCHEMBL6694882

SCHEMBL6694882

Cc1cc(N2CCCN(C(=O)C[Si](C)(C)C)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
RAD52 P43351 1/20 0.50
MAPT P10636 3/20 0.44
GFER P55789 2/20 0.44
ALDH1A1 P00352 1/20 0.44
IP6K1 Q92551 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CCR1 P32246 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.39
CASP6 P55212 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5202552 0.82 GFER (0.57) GAARAD52MAPTGFERALDH1A1
SCHEMBL6266805 0.79 GAA (0.70) GAARAD52MAPTGFERALDH1A1
SCHEMBL7032717 0.77 GAA (0.67) GAARAD52MAPTALDH1A1IP6K1
SCHEMBL5204030 0.77 GAA (0.57) GAARAD52MAPTGFERALDH1A1
Hydrochloric Acid SCHEMBL5707927 0.76 GAA (0.43) GAARAD52MAPTGFERALDH1A1
SCHEMBL6152312 0.76 GFER (0.64) GAARAD52MAPTGFERALDH1A1
SCHEMBL6151256 0.76 GFER (0.64) GAARAD52MAPTGFERALDH1A1
SCHEMBL11299225 0.76 GAA (0.59) GAARAD52MAPTGFERALDH1A1
SCHEMBL10359672 0.76 GFER (0.64) GAARAD52MAPTGFERALDH1A1
SCHEMBL22652114 0.76 MAPT (0.55) GAARAD52MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004111062-A1 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A DIAZACYCLOHEPTANE RING SUBSTITUTED WITH A SILYL RADICAL, FOR DYEING KERATIN FIBRES L'OREAL (FR) 2004-12-23 WO claimed