SCHEMBL28016377

SCHEMBL28016377

Cc1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2C=Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.42
CNR1 P21554 1/20 0.41
NAMPT P43490 4/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR2 O43614 1/20 0.37
TP53 P04637 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL28016376 0.83 HTR2A (0.45) HTTSMN1; SMN2PPARGHTR2AHTR2C
SCHEMBL28016378 0.77 PPARG (0.48) HTTSMN1; SMN2PPARGHTR2AHTR2C
SCHEMBL28017039 0.75 HTR2A (0.48) HTTSMN1; SMN2PPARGNAMPTHTR2A
SCHEMBL28016380 0.73 HTR2A (0.60) NAMPTHTR2AHTR2CKCNH2NFE2L2
SCHEMBL10985952 0.73 BCHE (0.50) HTTBCHEACHESMN1; SMN2CNR1
SCHEMBL8317878 0.73 BCHE (0.50) HTTBCHEACHESMN1; SMN2CNR1
SCHEMBL10988447 0.72 BCHE (0.66) HTTBCHEACHESMN1; SMN2NAMPT
SCHEMBL28017032 0.71 HTR2A (0.47) HTTSMN1; SMN2NAMPTHTR2AHTR2C
SCHEMBL16495194 0.70 MMP2 (0.43) HTTBCHEACHECNR1NAMPT
SCHEMBL10975905 0.70 ABCC9 (0.52) HTTCNR1NAMPTLMNAALDH1A1

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
CN-104592086-A Method for preparing indole compound through copper salt catalysis UNIV TAIZHOU 2015-05-06 CN disclosed