SCHEMBL28293662

SCHEMBL28293662

O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.58
MAPT P10636 1/20 0.56
KIF11 P52732 2/20 0.53
KMT2A Q03164 3/20 0.51
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.44
ACLY P53396 1/20 0.44
PSIP1 O75475 1/20 0.44
PPARG P37231 1/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL28467941 0.93 TSHR (0.57) HSD11B1MAPTKIF11KMT2ATSHR
SCHEMBL28110722 0.86 MAPT (0.53) HSD11B1MAPTKIF11KMT2ATSHR
SCHEMBL16886402 0.83 MAPT (0.50) HSD11B1MAPTKMT2ATSHRHSD17B10
SCHEMBL6723028 0.83 NR1H3 (0.60) MAPTTSHRHSD17B10ALDH1A1
SCHEMBL14601736 0.83 KIF11 (0.50) KIF11KMT2APTGDR2PPARGMMP1
SCHEMBL5010591 0.83 KIF11 (0.50) HSD11B1KIF11KMT2ATSHRHSD17B10
SCHEMBL17943805 0.81 HSD11B1 (0.66) HSD11B1MAPT
SCHEMBL28279320 0.81 MAPT (0.48) HSD11B1MAPTKIF11KMT2ATSHR
Benzylsulfonylbenzene SCHEMBL780337 0.80 TSHR (0.68) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL776229 0.79 MAPT (0.61) HSD11B1MAPTKMT2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761863-B (E) - (2- (phenylsulfonyl) ethenyl) benzene and its derivative and synthetic method 湘潭大学 2020-10-02 CN claimed
CN-109761863-A (E)-(2-(phenyl sulfonyl) vinyl) benzene and its derivative and synthetic method 湘潭大学 2019-05-17 CN claimed
CN-109761863-B (E) - (2- (phenylsulfonyl) ethenyl) benzene and its derivative and synthetic method 湘潭大学 2020-10-02 CN disclosed