SCHEMBL28016378

SCHEMBL28016378

Cc1ccc(S(=O)(=O)c2ccccc2C=Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
HTT P42858 3/20 0.46
TSHR P16473 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
KCNH2 Q12809 3/20 0.44
CYP24A1 Q07973 3/20 0.43
FGF23 Q9GZV9 1/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL3162451 0.89 TSHR (0.57) PPARGHTTTSHRNFE2L2KMT2A
SCHEMBL3162463 0.89 TSHR (0.57) PPARGHTTTSHRNFE2L2KMT2A
SCHEMBL28016376 0.88 HTR2A (0.45) PPARGHTTNFE2L2ALDH1A1KDM4E
SCHEMBL28017039 0.88 HTR2A (0.48) PPARGHTTNFE2L2ALDH1A1KDM4E
SCHEMBL28016380 0.83 HTR2A (0.60) NFE2L2HTR2AHTR2CKCNH2CYP2D6
SCHEMBL28017032 0.83 HTR2A (0.47) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5879758 0.80 CYP2C9 (0.55) HTTTSHRALDH1A1KDM4EMEN1
SCHEMBL11587000 0.79 HTT (0.44) HTTTSHRALDH1A1KDM4EMEN1
SCHEMBL11586998 0.79 HTT (0.44) HTTTSHRALDH1A1KDM4EMEN1
SCHEMBL11131291 0.79 GAA (0.50) HTTTSHRALDH1A1KDM4EMEN1

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