SCHEMBL4725148

SCHEMBL4725148

COc1cc(C[Si](C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TMEM97 Q5BJF2 4/20 0.39
CHEK1 O14757 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7078048 0.80 HTR2A (0.43) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL6370062 0.79 MAPT (0.47) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL131957 0.77 MAPT (0.45) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL131224 0.76 MAPT (0.44) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL3565066 0.76 MAPT (0.44) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL3560313 0.76 MAPT (0.47) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL11333063 0.76 LMNA (0.44) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL11806450 0.73 LMNA (0.43) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL3566138 0.72 AR (0.46) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL28701077 0.72 ALDH1A1 (0.48) MAPTHTTALDH1A1CYP2D6L3MBTL1

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-2008025526-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 WO disclosed